SCHEMBL15723965

SCHEMBL15723965

CC(C)c1ncccc1-c1ccc2ccccc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 1/20 0.47
CYP17A1 P05093 1/20 0.46
CYP19A1 P11511 1/20 0.46
CYP11B1 P15538 1/20 0.46
CYP11B2 P19099 1/20 0.46
DHFR P00374 1/20 0.45
KDM4E B2RXH2 3/20 0.44
TSHR P16473 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
ALDH1A1 P00352 2/20 0.44
HSD17B10 Q99714 2/20 0.44
LMNA P02545 2/20 0.44
TP53 P04637 2/20 0.44
MAPT P10636 2/20 0.44
PKM P14618 1/20 0.44
KLF5 Q13887 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC8 Q9BY41 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
SCHEMBL15723912 0.87 ALDH1A1 (0.50) ALDH1A1NPC1RAB9APOLBADORA2A
SCHEMBL15723963 0.87 RAB9A (0.62) KDM4ETSHRSMN1; SMN2ALDH1A1HSD17B10
SCHEMBL15723968 0.86 CYP11B2 (0.54) GSTP1CYP17A1CYP19A1CYP11B1CYP11B2
SCHEMBL15723922 0.84 PIK3CD (0.50) CYP17A1CYP19A1CYP11B1CYP11B2CYP3A4
SCHEMBL15723903 0.82 TGFBR1 (0.44) KDM4EALDH1A1LMNANPC1RAB9A
SCHEMBL15723924 0.81 CYP2A6 (0.53) ALDH1A1NPC1RAB9APOLBCYP1A2
SCHEMBL16805031 0.81 ABL1 (0.52) GSTP1CYP17A1CYP19A1CYP11B1CYP11B2
SCHEMBL14555509 0.80 PTGS2 (0.45) CYP17A1KDM4ETSHRSMN1; SMN2ALDH1A1
SCHEMBL15723950 0.80 PTGS1 (0.44) TSHRALDH1A1HSD17B10MAPTPOLB
SCHEMBL15723936 0.79 KDM4E (0.63) GSTP1CYP17A1CYP19A1CYP11B1CYP11B2

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-20180194746-A1 Compounds For the Treatment of HIV GILEAD SCIENCES, INC. 2018-07-12 US disclosed
US-9944619-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2018-04-17 US disclosed
US-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2017-05-18 US disclosed
US-9540343-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2017-01-10 US disclosed
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. (US) 2014-05-22 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-20180194746-A1 Compounds For the Treatment of HIV CCR5, NPC1, FURIN GSTP1 4019/4885CYP17A1 77/4885CYP19A1 564/4885
US-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN GSTP1 4019/4885CYP17A1 77/4885CYP19A1 564/4885
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN GSTP1 4019/4885CYP17A1 77/4885CYP19A1 564/4885

“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.