SCHEMBL4741957

SCHEMBL4741957

CC(C)(C)[Si](C)(C)OCCc1ccc(C(=O)O)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
RARB P10826 6/20 0.44
RXRA P19793 2/20 0.42
RXRB P28702 2/20 0.42
NR4A2 P43354 1/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
RARA P10276 1/20 0.42
MAPT P10636 1/20 0.42
MTOR P42345 1/20 0.42
HPGD P15428 1/20 0.41
RXRG P48443 1/20 0.40
EPHX2 P34913 1/20 0.40
NR1H4 Q96RI1 1/20 0.40
EDNRB P24530 1/20 0.40
EDNRA P25101 1/20 0.40
P2RX3 P56373 1/20 0.40
PPARG P37231 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17361238 0.86 PPARG (0.36) ALDH1A1KMT2AMEN1MAPTPPARG
SCHEMBL3722014 0.84 RXRA (0.51) ALDH1A1RXRARXRBNR4A2HPGD
SCHEMBL23066425 0.82 ESR1 (0.47) KMT2AMEN1MAPTHPGD
SCHEMBL4741394 0.82 FOLH1 (0.46) ALDH1A1NR4A2KMT2ANR1H4
SCHEMBL8686883 0.81 HTR2A (0.44)
SCHEMBL4254643 0.81 CYP4A11 (0.58) ALDH1A1KMT2AMEN1MAPTHPGD
SCHEMBL10514353 0.81 DUT (0.33) MAPTPPARG
SCHEMBL23303121 0.81 NPC1 (0.43) ALDH1A1KMT2AMEN1HPGDNR1H4
SCHEMBL2142371 0.80 PPARA (0.42) ALDH1A1MAPT
SCHEMBL2821530 0.80 ESR1 (0.45) ALDH1A1KMT2AMEN1MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3160514-B1 CONJUGATES DERIVED FROM NON-STEROIDAL ANTI-INFLAMMATORY DRUGS AND METHODS OF USE THEREOF IN IMAGING REILEY PHARMACEUTICALS INC (US) 2024-07-31 EP disclosed
US-20240190790-A1 CONJUGATES DERIVED FROM NON-STEROIDAL ANTI-INFLAMMATORY DRUGS AND METHODS OF USE THEREOF IN IMAGING REILEY PHARMACEUTICALS INC (US) 2024-06-13 US disclosed
US-20220017432-A1 CONJUGATES DERIVED FROM NON-STEROIDAL ANTI-INFLAMMATORY DRUGS AND METHODS OF USE THEREOF IN IMAGING Reiley Pharmaceuticals, Inc. 2022-01-20 US disclosed
US-20220017432-A1 CONJUGATES DERIVED FROM NON-STEROIDAL ANTI-INFLAMMATORY DRUGS AND METHODS OF USE THEREOF IN IMAGING Reiley Pharmaceuticals, Inc. 2022-01-20 US disclosed
CN-111217834-B Nitroxide derivatives of ROCK kinase inhibitors 维眸生物科技(上海)有限公司 2021-10-26 CN disclosed
CN-111217834-A Nitroxide derivatives of ROCK kinase inhibitors 维眸生物科技(上海)有限公司 2020-06-02 CN disclosed
US-20190169084-A1 CONJUGATES DERIVED FROM NON-STEROIDAL ANTI-INFLAMMATORY DRUGS AND METHODS OF USE THEREOF IN IMAGING Reiley Pharmaceuticals, Inc. 2019-06-06 US disclosed
US-20190169084-A1 CONJUGATES DERIVED FROM NON-STEROIDAL ANTI-INFLAMMATORY DRUGS AND METHODS OF USE THEREOF IN IMAGING Reiley Pharmaceuticals, Inc. 2019-06-06 US disclosed
US-10299475-B2 Pesticide ISHIHARA SANGYO KAISHA, LTD. (JP) 2019-05-28 US disclosed
US-20180162784-A1 CONJUGATES DERIVED FROM NON-STEROIDAL ANTI-INFLAMMATORY DRUGS AND METHODS OF USE THEREOF IN IMAGING Reiley Pharmaceuticals, Inc. 2018-06-14 US disclosed
US-20160192651-A1 PESTICIDE ISHIHARA SANGYO KAISHA, LTD. (JP) 2016-07-07 US disclosed
EP-3037408-A1 HARMFUL ORGANISM CONTROL AGENT Ishihara Sangyo Kaisha, Ltd. (JP) 2016-06-29 EP disclosed
US-20150374858-A1 CONJUGATES DERIVED FROM NON-STEROIDAL ANTI-INFLAMMATORY DRUGS AND METHODS OF USE THEREOF IN IMAGING Reiley Pharmaceuticals, Inc. 2015-12-31 US disclosed
US-20150374858-A1 CONJUGATES DERIVED FROM NON-STEROIDAL ANTI-INFLAMMATORY DRUGS AND METHODS OF USE THEREOF IN IMAGING Reiley Pharmaceuticals, Inc. 2015-12-31 US disclosed
US-20150374858-A1 CONJUGATES DERIVED FROM NON-STEROIDAL ANTI-INFLAMMATORY DRUGS AND METHODS OF USE THEREOF IN IMAGING Reiley Pharmaceuticals, Inc. 2015-12-31 US disclosed
WO-2015200187-A1 CONJUGATES DERIVED FROM NON-STEROIDAL ANTI-INFLAMMATORY DRUGS AND METHODS OF USE THEREOF IN IMAGING Reiley Pharmaceuticals, Inc. (US) 2015-12-30 WO disclosed
WO-2015200187-A1 CONJUGATES DERIVED FROM NON-STEROIDAL ANTI-INFLAMMATORY DRUGS AND METHODS OF USE THEREOF IN IMAGING Reiley Pharmaceuticals, Inc. (US) 2015-12-30 WO disclosed
WO-2008149110-A1 BICYCLOR [2.2.1] HEPT-7-YLAMINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASES AND CONDITIONS IN WHICH M3 MUSCARINIC RECEPTOR ACTIVITY AND BETA-ADRENERGIC ACTIVITY ARE IMPLICATED ARGENTA DISCOVERY LIMITED (GB) 2008-12-11 WO disclosed
WO-2008096129-A1 NITROGEN CONTAINING HETROCYCLIC COMPOUNDS USEFUL AS BIFUNCTIONAL MODULATORS OF M3 RECEPTORS AND BETA- 2 RECEPTORS ARGENTA DISCOVERY LTD (GB) 2008-08-14 WO disclosed
WO-2008096127-A2 BICYCLO[2.2.1]HEPT-7-YLAMINE DERIVATIVES AND THEIR USE AS M3 MUSCARINIC RECEPTOR MODULATORS ARGENTA DISCOVERY LTD (GB) 2008-08-14 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20180162784-A1 CONJUGATES DERIVED FROM NON-STEROIDAL ANTI-INFLAMMATORY DRUGS AND METHODS OF USE THEREOF IN IMAGING PTGES3, PTGES, HPGDS ALDH1A1 626/4885RARB 1722/4885RXRA 2206/4885
US-20220017432-A1 CONJUGATES DERIVED FROM NON-STEROIDAL ANTI-INFLAMMATORY DRUGS AND METHODS OF USE THEREOF IN IMAGING PTGES3, PTGES, HPGDS ALDH1A1 626/4885RARB 1722/4885RXRA 2206/4885
US-20150374858-A1 CONJUGATES DERIVED FROM NON-STEROIDAL ANTI-INFLAMMATORY DRUGS AND METHODS OF USE THEREOF IN IMAGING PTGES3, PTGES, HPGDS ALDH1A1 626/4885RARB 1722/4885RXRA 2206/4885
US-20190169084-A1 CONJUGATES DERIVED FROM NON-STEROIDAL ANTI-INFLAMMATORY DRUGS AND METHODS OF USE THEREOF IN IMAGING PTGES3, PTGES, HPGDS ALDH1A1 626/4885RARB 1722/4885RXRA 2206/4885
US-20240190790-A1 CONJUGATES DERIVED FROM NON-STEROIDAL ANTI-INFLAMMATORY DRUGS AND METHODS OF USE THEREOF IN IMAGING PTGES3, PTGES, HPGDS ALDH1A1 626/4885RARB 1722/4885RXRA 2206/4885
US-10299475-B2 Pesticide DDT, ACHE, KCNH1 ALDH1A1 1980/4885RARB 1009/4885RXRA 460/4885
US-20160192651-A1 PESTICIDE DDT, ACHE, KCNH1 ALDH1A1 1980/4885RARB 1009/4885RXRA 460/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.