SCHEMBL7467608

SCHEMBL7467608

COc1cccc(C2(C(=O)O)CCCC2)c1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AKR1C1 Q04828 1/20 0.59
ALDH1A1 P00352 3/20 0.51
TSHR P16473 2/20 0.50
HPGD P15428 1/20 0.50
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
OPRD1 P41143 1/20 0.47
SELP P16109 3/20 0.47
SELL P14151 2/20 0.47
SLC22A1 O15245 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
OPRM1 P35372 1/20 0.46

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
SCHEMBL8587542 0.98 AKR1C1 (0.57) AKR1C1ALDH1A1TSHRHPGDKMT2A
SCHEMBL521247 0.97 AKR1C1 (0.54) AKR1C1ALDH1A1TSHRHPGDKMT2A
SCHEMBL1465003 0.94 KMT2A (0.50) AKR1C1ALDH1A1TSHRHPGDKMT2A
SCHEMBL21874215 0.87 KDM1A (0.49) AKR1C1ALDH1A1KMT2AMEN1OPRD1
SCHEMBL1626965 0.87 ICMT (0.48) ALDH1A1KMT2AMEN1OPRD1OPRM1
SCHEMBL4878231 0.87 HCAR2 (0.46) AKR1C1ALDH1A1KMT2AMEN1OPRD1
SCHEMBL30683829 0.86 ADAM17 (0.53) ALDH1A1TSHRHPGDKMT2AMEN1
SCHEMBL2846322 0.86 ADAM17 (0.53) ALDH1A1TSHRHPGDKMT2AMEN1
SCHEMBL5668891 0.85 LMNA (0.65) ALDH1A1KMT2AMEN1OPRD1SLC22A1
SCHEMBL8585754 0.85 ADAM17 (0.52) ALDH1A1TSHRHPGDKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220363662-A1 COMPOUNDS AS LXR AGONISTS Integral Biosciences Privated Limited (IN) 2022-11-17 US disclosed
WO-2022224166-A1 COMPOUNDS AS LXR AGONISTS INTEGRAL BIOSCIENCES PRIVATE LIMITED (IN) 2022-10-27 WO disclosed
EP-1165082-A4 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2002-06-12 EP disclosed
US-6358956-B1 IMIDAZOLYLALKYL-1-PIPERAZINE DERIVATIVES; FARNESYL-PROTEIN AND GERANYLGERANYL TRANSFERASE INHIBITORS; ANTICARCINOGENIC AGENTS MERCK & CO., INC. 2002-03-19 US disclosed
EP-1165082-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2002-01-02 EP disclosed
WO-2000051611-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2000-09-08 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 (1 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-20220363662-A1 COMPOUNDS AS LXR AGONISTS NR1H2, NR1H3, NR1H4 AKR1C1 277/4885ALDH1A1 781/4885TSHR 589/4885

“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.