SCHEMBL10186126

SCHEMBL10186126

CCOc1cc(C(=O)O)ccc1C1CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.59
POLB P06746 1/20 0.51
CASP6 P55212 1/20 0.51
MRGPRX4 Q96LA9 3/20 0.49
TTR P02766 1/20 0.47
LMNA P02545 1/20 0.46
CREBBP Q92793 4/20 0.45
RXRA P19793 2/20 0.45
HNF4A P41235 1/20 0.45
RXRB P28702 1/20 0.44
NFKB1 P19838 2/20 0.44
NFKB2 Q00653 2/20 0.44
RELA Q04206 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
GAA P10253 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44

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
SCHEMBL10184838 0.88 TSHR (0.59) TSHRPOLBCASP6MRGPRX4LMNA
SCHEMBL25049608 0.85 CREBBP (0.48) TSHRCREBBPL3MBTL1CA12CA1
SCHEMBL16957021 0.84 APOBEC3G (0.43) TSHRPOLBCREBBPSMN1; SMN2NPC1
SCHEMBL13763366 0.84 NR1H4 (0.50) MRGPRX4CREBBP
SCHEMBL10186122 0.83 CA12 (0.61) TSHRTTRLMNACREBBPRAB9A
SCHEMBL18952290 0.82 MRGPRX4 (0.46) TSHRPOLBCASP6MRGPRX4CREBBP
SCHEMBL18952493 0.81 MRGPRX4 (0.45) TSHRMRGPRX4LMNACREBBPHNF4A
SCHEMBL18952336 0.81 MRGPRX4 (0.53) MRGPRX4RXRAHNF4AL3MBTL1
SCHEMBL16962463 0.81 APOBEC3G (0.40) TSHRPOLBCREBBPSMN1; SMN2NPC1
SCHEMBL18952315 0.79 KMT2A (0.47) TSHRMRGPRX4CREBBPRXRARXRB

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240067610-A1 INHIBITORS OF NLRP3 INFLAMMASOME BioAge Labs, Inc. 2024-02-29 US disclosed
US-20240067610-A1 INHIBITORS OF NLRP3 INFLAMMASOME BioAge Labs, Inc. 2024-02-29 US disclosed
US-20230365507-A1 INHIBITORS OF NLRP3 INFLAMMASOME BioAge Labs, Inc. 2023-11-16 US disclosed
US-11708334-B2 Inhibitors of NLRP3 inflammasome BioAge Labs, Inc. (US) 2023-07-25 US disclosed
US-11708334-B2 Inhibitors of NLRP3 inflammasome BioAge Labs, Inc. (US) 2023-07-25 US disclosed
US-11702391-B2 Inhibitors of NLRP3 inflammasome BioAge Labs, Inc. (US) 2023-07-18 US disclosed
US-11702391-B2 Inhibitors of NLRP3 inflammasome BioAge Labs, Inc. (US) 2023-07-18 US disclosed
US-20230051130-A1 INHIBITORS OF NLRP3 INFLAMMASOME BioAge Labs, Inc. 2023-02-16 US disclosed
US-20120046292-A1 DIACYLETHYLENEDIAMINE COMPOUND ASTELLAS PHARMA INC. (JP) 2012-02-23 US disclosed
WO-2010122968-A1 DIACYLETHYLENEDIAMINE COMPOUND アステラス製薬株式会社 (JP) 2010-10-28 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 (6 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-11708334-B2 Inhibitors of NLRP3 inflammasome NLRP3, NLRP1, PYCARD TSHR 4615/4885POLB 2747/4885CASP6 23/4885
US-20120046292-A1 DIACYLETHYLENEDIAMINE COMPOUND DGAT1, DGAT2, DIMT1 TSHR 4189/4885POLB 3114/4885CASP6 3854/4885
US-20240067610-A1 INHIBITORS OF NLRP3 INFLAMMASOME NLRP3, PYCARD, CASP1 TSHR 4549/4885POLB 2125/4885CASP6 32/4885
US-11702391-B2 Inhibitors of NLRP3 inflammasome NLRP3, CASP1, PYCARD TSHR 4572/4885POLB 2241/4885CASP6 28/4885
US-20230051130-A1 INHIBITORS OF NLRP3 INFLAMMASOME NLRP3, PYCARD, CASP1 TSHR 4549/4885POLB 2125/4885CASP6 32/4885
US-20230365507-A1 INHIBITORS OF NLRP3 INFLAMMASOME NLRP3, PYCARD, CASP1 TSHR 4549/4885POLB 2125/4885CASP6 32/4885

“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.