SCHEMBL417274

SCHEMBL417274

COc1ccc(SCCCC(=O)n2ccc3ccc(OC)cc32)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
LMNA P02545 1/20 0.46
MCL1 Q07820 2/20 0.45
OXER1 Q8TDS5 2/20 0.44
TFPI2 P48307 1/20 0.43
MTNR1A P48039 5/20 0.42
MTNR1B P49286 5/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
THRB P10828 1/20 0.40
FABP4 P15090 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2E1 P05181 1/20 0.39
CYP2C8 P10632 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2B6 P20813 1/20 0.39
CYP2C19 P33261 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 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
SCHEMBL24110616 0.74 HTR2A (0.53) ALDH1A1MCL1TFPI2MTNR1AMTNR1B
SCHEMBL5569918 0.72 TFPI2 (0.57) ALDH1A1MCL1TFPI2MTNR1AMTNR1B
SCHEMBL30297606 0.72 TFPI2 (0.57) ALDH1A1MCL1TFPI2MTNR1AMTNR1B
SCHEMBL28409121 0.72 MTNR1A (0.55) ALDH1A1LMNAMCL1TFPI2MTNR1A
SCHEMBL3130467 0.72 ALDH1A1 (0.64) ALDH1A1LMNAMTNR1AMTNR1BNPC1
SCHEMBL4795562 0.72 MTNR1A (0.48) MCL1OXER1TFPI2MTNR1AMTNR1B
SCHEMBL12470557 0.71 ALDH1A1 (0.62) ALDH1A1LMNAMTNR1AMTNR1BNPC1
SCHEMBL2117429 0.71 MTNR1A (0.51) ALDH1A1LMNATFPI2MTNR1AMTNR1B
SCHEMBL415731 0.70 MAPT (0.52) ALDH1A1LMNANPC1RAB9A
SCHEMBL28661147 0.70 TFPI2 (0.52) ALDH1A1MCL1TFPI2MTNR1AMTNR1B

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-20120022054-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS LABORATOIRE BIODIM (FR) 2012-01-26 US claimed
US-20120022054-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS LABORATOIRE BIODIM (FR) 2012-01-26 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-20120022054-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS HAVCR2, MAVS, EIF2AK2 ALDH1A1 455/4885LMNA 3529/4885MCL1 79/4885

“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.