SCHEMBL18852461

SCHEMBL18852461

Cc1cc(-c2cccc(C(C)C)c2)on1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 1/20 0.43
▸ BRD2 P25440 1/20 0.43
▸ CREBBP Q92793 1/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ NPC1 O15118 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP19A1 P11511 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ MAPT P10636 4/20 0.41
▸ LMNA P02545 1/20 0.41
▸ RXRA P19793 1/20 0.41
▸ RXRB P28702 1/20 0.41
▸ RXRG P48443 1/20 0.41
▸ CSF1R P07333 1/20 0.40
▸ MLLT1 Q03111 1/20 0.40
▸ TP53 P04637 1/20 0.39
▸ PTPN1 P18031 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39

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
SCHEMBL19736894 0.82 MLLT1 (0.45) BRD4BRD2CREBBPKMT2AMAPT
SCHEMBL12266910 0.79 CSF1R (0.49) KMT2ANPC1CYP1A2CYP19A1CYP2C9
SCHEMBL15723872 0.78 PTPN5 (0.42) BRD4BRD2CREBBPKMT2ANPC1
SCHEMBL21466382 0.78 RAB9A (0.64) KMT2ANPC1CYP1A2CYP2C9CYP2C19
SCHEMBL354607 0.76 RAB9A (0.61) BRD4KMT2ANPC1CYP1A2CYP19A1
SCHEMBL24799555 0.76 RPS6KB1 (0.52) CYP1A2CYP19A1CYP2C9CYP2C19MAPT
SCHEMBL16373542 0.76 MAPK1 (0.55) NPC1MAPTCSF1RTP53ALDH1A1
SCHEMBL31607766 0.76 MEN1 (0.52) KMT2ANPC1CYP1A2CYP19A1CYP2C9
SCHEMBL27141380 0.76 MEN1 (0.52) KMT2ANPC1CYP1A2CYP19A1CYP2C9
SCHEMBL18618071 0.76 HSD17B1 (0.61) KMT2ANPC1CYP2C9MAPTMLLT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN BRD4 2077/4885BRD2 3850/4885CREBBP 2977/4885

“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.

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