SCHEMBL17369634

SCHEMBL17369634

CC(=O)C(C)c1ccc2cc(C)ccc2c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 11/20 0.53
▸ AKR1C2 P52895 11/20 0.53
▸ PTGS2 P35354 3/20 0.51
▸ PTGS1 P23219 2/20 0.51
▸ CYP1A2 P05177 2/20 0.51
▸ TSHR P16473 2/20 0.51
▸ CDC42 P60953 1/20 0.51
▸ RAC1 P63000 1/20 0.51
▸ SLC22A6 Q4U2R8 1/20 0.51
▸ CYP2A6 P11509 2/20 0.48
▸ LMNA P02545 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.44
▸ L3MBTL1 Q9Y468 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
SCHEMBL15695568 1.00 AKR1C3 (0.53) AKR1C3AKR1C2PTGS2PTGS1CYP1A2
SCHEMBL10041460 0.89 AKR1C3 (0.65) AKR1C3AKR1C2PTGS2PTGS1CYP1A2
SCHEMBL2600793 0.89 AKR1C3 (0.65) AKR1C3AKR1C2PTGS2PTGS1CYP1A2
SCHEMBL11460825 0.89 AKR1C3 (0.65) AKR1C3AKR1C2PTGS2PTGS1CYP1A2
Ammonia Solution, Strong SCHEMBL11722197 0.87 AKR1C3 (0.63) AKR1C3AKR1C2PTGS2PTGS1CYP1A2
SCHEMBL27634477 0.87 CYP1A2 (0.50) AKR1C3AKR1C2PTGS2PTGS1CYP1A2
SCHEMBL11721635 0.84 CYP1A2 (0.46) AKR1C3AKR1C2PTGS2PTGS1CYP1A2
SCHEMBL11459076 0.84 AKR1C3 (0.58) AKR1C3AKR1C2PTGS2PTGS1CYP1A2
SCHEMBL14983577 0.84 CYP1A2 (0.46) AKR1C3AKR1C2PTGS2PTGS1CYP1A2
SCHEMBL15695558 0.83 UGT2B7 (0.60) AKR1C3AKR1C2PTGS2PTGS1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230157952-A1 METHOD FOR IMPROVING THE STABILITY OF A PHARMACEUTICAL COMPOSITION COMPRISING A HIGH PENETRATION DRUG, AND THE PHARMACEUTICAL COMPOSITION OBTAINED THEREFROM TECHFIELDS INC. (US) 2023-05-25 — — 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-9850183-B2 Conjugates derived from non-steroidal anti-inflammatory drugs and methods of use thereof in imaging Reiley Pharmaceuticals, Inc. (US) 2017-12-26 — — US disclosed
US-20160200752-A1 COX-2-TARGETING, PLATINUM-CONTAINING CONJUGATES AND THEIR USE IN THE TREATMENT OF TUMORS AND CANCERS Reiley Pharmaceuticals, Inc. 2016-07-14 — — 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

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

For each of this compound's patents that has machine-readable text (4 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-20160200752-A1 COX-2-TARGETING, PLATINUM-CONTAINING CONJUGATES AND THEIR USE IN THE TREATMENT OF TUMORS AND CANCERS PTGS2, PTGES2, TOP2A AKR1C3 2396/4885AKR1C2 2250/4885PTGS2 1/4885
US-20180162784-A1 CONJUGATES DERIVED FROM NON-STEROIDAL ANTI-INFLAMMATORY DRUGS AND METHODS OF USE THEREOF IN IMAGING PTGES3, PTGES, HPGDS AKR1C3 568/4885AKR1C2 1264/4885PTGS2 6/4885
US-20150374858-A1 CONJUGATES DERIVED FROM NON-STEROIDAL ANTI-INFLAMMATORY DRUGS AND METHODS OF USE THEREOF IN IMAGING PTGES3, PTGES, HPGDS AKR1C3 568/4885AKR1C2 1264/4885PTGS2 6/4885
US-20230157952-A1 METHOD FOR IMPROVING THE STABILITY OF A PHARMACEUTICAL COMPOSITION COMPRISING A HIGH PENETRATION DRUG, AND THE PHARMACEUTICAL COMPOSITION OBTAINED THEREFROM SLC7A1, ABCG2, SLCO4C1 AKR1C3 3743/4885AKR1C2 2862/4885PTGS2 619/4885

“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.

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