SCHEMBL6945440

SCHEMBL6945440

CC(C)(CC(=O)C(=O)O)c1ccc(I)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPMT P51580 1/20 0.39
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CYP2C19 P33261 1/20 0.37
HIF1A Q16665 1/20 0.37
KIF11 P52732 1/20 0.36
PTPN1 P18031 1/20 0.36
CAPN1 P07384 1/20 0.35
CAPN2 P17655 1/20 0.35
APP P05067 1/20 0.35
ERCC5 P28715 1/20 0.35
FEN1 P39748 1/20 0.35
SHBG P04278 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
ESR1 P03372 2/20 0.33
ESR2 Q92731 2/20 0.33
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP3A4 P08684 1/20 0.33
ME2 P23368 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 0.84 CYP2C19 (0.53) CYP2C19HIF1AKIF11PTPN1ERCC5
SCHEMBL3531218 0.83 MIF (0.52) CYP2C19ERCC5FEN1ALDH1A1SMN1; SMN2
SCHEMBL6946377 0.79 CYP2C19 (0.41) CYP2C19HIF1AALDH1A1ME2ME1
SCHEMBL4715047 0.76 LMNA (0.39) TPMTAPPTRPV1ALDH1A1SMN1; SMN2
SCHEMBL11507119 0.74 CYP2C19 (0.47) TPMTCA1CA2CYP2C19HIF1A
SCHEMBL6950163 0.73 CYP2C19 (0.38) CYP2C19HIF1APTPN1ERCC5FEN1
Acetic Acid SCHEMBL4601540 0.71 SRD5A2 (0.50) TPMTHIF1AKIF11APPALDH1A1
SCHEMBL4508185 0.71 TPMT (0.44) TPMTCA1CA2KIF11CAPN1
Acetic Acid SCHEMBL3745418 0.71 SRD5A2 (0.50) TPMTHIF1AKIF11APPALDH1A1
SCHEMBL13898354 0.71 CYP2C19 (0.52) CYP2C19HIF1AKIF11ESR1ESR2

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 TPMT 3349/4885CA1 4118/4885CA2 4442/4885
US-20030203902-A1 Nonsteroidal gestagens GPER1, NR5A1, ESR2 TPMT 2958/4885CA1 4097/4885CA2 4443/4885

“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.