SCHEMBL15701616

SCHEMBL15701616

COc1ccc2ccc(C(C)C)cc2c1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.62
AKR1C3 P42330 6/20 0.61
AKR1C2 P52895 6/20 0.61
PTGS2 P35354 3/20 0.61
PTGS1 P23219 3/20 0.61
CYP1A2 P05177 2/20 0.61
TSHR P16473 2/20 0.61
CDC42 P60953 1/20 0.61
RAC1 P63000 1/20 0.61
SLC22A6 Q4U2R8 1/20 0.61
CYP2A6 P11509 1/20 0.59
LMNA P02545 1/20 0.57
MAPT P10636 1/20 0.57
CYP2C9 P11712 1/20 0.57
TDP1 Q9NUW8 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
ALOX5 P09917 2/20 0.53
AKR1C1 Q04828 1/20 0.51
RAB9A P51151 1/20 0.50

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
SCHEMBL29365195 0.98 ABCB11 (0.65) ABCB11AKR1C3AKR1C2PTGS2PTGS1
SCHEMBL30640494 0.98 ABCB11 (0.65) ABCB11AKR1C3AKR1C2PTGS2PTGS1
SCHEMBL487168 0.98 ABCB11 (0.65) ABCB11AKR1C3AKR1C2PTGS2PTGS1
SCHEMBL30986302 0.86 ABCB11 (0.57) ABCB11AKR1C3AKR1C2PTGS2PTGS1
SCHEMBL20398797 0.85 ABCB11 (0.65) ABCB11AKR1C3AKR1C2PTGS2PTGS1
SCHEMBL443528 0.84 CYP2A6 (0.80) ABCB11AKR1C3AKR1C2PTGS1CYP1A2
SCHEMBL29367032 0.84 CYP2A6 (0.80) ABCB11AKR1C3AKR1C2PTGS1CYP1A2
SCHEMBL8582858 0.84 CYP1A2 (0.55) ABCB11AKR1C3AKR1C2PTGS2PTGS1
SCHEMBL25627482 0.83 CYP1A2 (0.57) ABCB11AKR1C3AKR1C2PTGS2PTGS1
SCHEMBL11015086 0.82 ABCB11 (0.93) ABCB11AKR1C3AKR1C2PTGS2PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230167081-A1 5-AMINO-2-PIPERIDINON-3-YL-1-OXOISOINDOLINE DERIVATIVES FOR DEGRADATION OF IKZF2 DEGRADERS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2023-06-01 US disclosed
US-20230167081-A1 5-AMINO-2-PIPERIDINON-3-YL-1-OXOISOINDOLINE DERIVATIVES FOR DEGRADATION OF IKZF2 DEGRADERS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2023-06-01 US disclosed
EP-3582789-B1 MULTIVALENT FUCOSE DERIVATIVES FOR USE AS A DRUG UNIV NANTES (FR) 2022-06-22 EP disclosed
US-9394273-B2 Therapeutic prostaglandin receptor agonists ALLERGAN, INC. (US) 2016-07-19 US disclosed
US-9346795-B2 Substituted sulfonamides useful as antiapoptotic Bcl inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-05-24 US disclosed
US-20150329518-A1 THERAPEUTIC PROSTAGLANDIN RECEPTOR AGONISTS ALLERGAN, INC. 2015-11-19 US disclosed
US-20140135318-A1 SUBSTITUTED SULFONAMIDES USEFUL AS ANTIAPOPTOTIC BCL INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-15 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 (3 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-20140135318-A1 SUBSTITUTED SULFONAMIDES USEFUL AS ANTIAPOPTOTIC BCL INHIBITORS BCL2, BAX, BCL2A1 ABCB11 1384/4885AKR1C3 3421/4885AKR1C2 2620/4885
US-20150329518-A1 THERAPEUTIC PROSTAGLANDIN RECEPTOR AGONISTS PTGIR, PTGDR, PTGFR ABCB11 1665/4885AKR1C3 513/4885AKR1C2 674/4885
US-20230167081-A1 5-AMINO-2-PIPERIDINON-3-YL-1-OXOISOINDOLINE DERIVATIVES FOR DEGRADATION OF IKZF2 DEGRADERS IKZF1, IKZF3, IKZF2 ABCB11 4782/4885AKR1C3 2907/4885AKR1C2 2524/4885

“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.