SCHEMBL6946377

SCHEMBL6946377

CC(C)(CC(=O)C(=O)O)c1cccc(I)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.41
HIF1A Q16665 1/20 0.41
TP53BP1 Q12888 1/20 0.38
CYP1A2 P05177 1/20 0.36
ACHE P22303 2/20 0.35
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
HDAC1 Q13547 2/20 0.33
HDAC2 Q92769 2/20 0.33
ME2 P23368 1/20 0.33
ME1 P48163 1/20 0.33
ME3 Q16798 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC10 Q969S8 1/20 0.33

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
SCHEMBL3535049 0.82 CYP2C19 (0.53) CYP2C19HIF1ACYP1A2MAPTKMT2A
SCHEMBL5643335 0.82 KCNN4 (0.47) CYP2C19HIF1ACYP1A2ACHEKMT2A
SCHEMBL6585765 0.82 ERCC5 (0.47) CYP2C19HIF1A
SCHEMBL6585600 0.82 KMT2A (0.40) CYP2C19HIF1ATP53BP1CYP1A2MAPT
SCHEMBL6585390 0.80 LMNA (0.46) CYP1A2MAPTKMT2AALDH1A1HTT
SCHEMBL6945440 0.79 TPMT (0.39) CYP2C19HIF1AME2ME1ME3
SCHEMBL5669662 0.74 CNR1 (0.42) CYP2C19HIF1ATP53BP1CYP1A2ACHE
SCHEMBL30804997 0.73 CYP1A2 (0.39) CYP2C19HIF1ATP53BP1CYP1A2ACHE
SCHEMBL30967807 0.73 CYP2C19 (0.39) CYP2C19HIF1ATP53BP1CYP1A2ACHE
SCHEMBL21227096 0.72 RAB9A (0.46) CYP2C19HIF1ATP53BP1CYP1A2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030203902-A1 Nonsteroidal gestagens SCHERING AKTIENGESELLSCHAFT (DE) 2003-10-30 US claimed
US-20020016365-A1 Nonsteroidal gestagens SCHERING AKTIENGESELLSCHAFT (DE) 2002-02-07 US claimed
US-6245804-B1 CONTRACEPTIVES; UROGENITAL DISORDERS SCHERING AKTIENGESELLSCHAFT (DE) 2001-06-12 US claimed
US-20030203902-A1 Nonsteroidal gestagens SCHERING AKTIENGESELLSCHAFT (DE) 2003-10-30 US disclosed
US-6548534-B2 Nonsteroidal gestagens SCHERING AKTIENGESELLSCHAFT (DE) 2003-04-15 US disclosed
US-20020016365-A1 Nonsteroidal gestagens SCHERING AKTIENGESELLSCHAFT (DE) 2002-02-07 US disclosed
US-6344454-B1 CONTRACEPTIVE PREPARATIONS,TREATMENT OF ENDOMETRIOSIS, GYNECOLOGICAL DISORDERS,PREMENSTRUAL SYMPTOMS, MALE BIRTH CONTROL, MALE HRT AND HORMONE THERAPY AND FOR TREATING ANDROLOGICAL DISEASE AGENTS. SCHERING AKTIENGESELLSCHAFT (DE) 2002-02-05 US disclosed
US-6245804-B1 CONTRACEPTIVES; UROGENITAL DISORDERS SCHERING AKTIENGESELLSCHAFT (DE) 2001-06-12 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 (2 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-20020016365-A1 Nonsteroidal gestagens NR5A1, GPER1, ESR2 CYP2C19 646/4885HIF1A 960/4885TP53BP1 2896/4885
US-20030203902-A1 Nonsteroidal gestagens GPER1, NR5A1, ESR2 CYP2C19 553/4885HIF1A 1208/4885TP53BP1 3141/4885

“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.