SCHEMBL1594956

SCHEMBL1594956

OCCc1ccn[c]c1Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.42
CALM1 P0DP23 1/20 0.34
BCL2 P10415 1/20 0.34
BCL2L1 Q07817 1/20 0.34
TAAR1 Q96RJ0 2/20 0.34
HTR2A P28223 1/20 0.33
TSHR P16473 1/20 0.32
PAX8 Q06710 1/20 0.32
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31

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
SCHEMBL2329762 0.73 TAAR1 (0.42) TDP1CALM1TAAR1TSHRNPC1
SCHEMBL30148126 0.69 HTR2A (0.63) TDP1CALM1BCL2BCL2L1HTR2A
SCHEMBL8871441 0.69 HTR2A (0.63) TDP1CALM1BCL2BCL2L1HTR2A
SCHEMBL7576190 0.67 IDO1 (0.38) BCL2L1TAAR1TSHRALDH1A1SMN1; SMN2
SCHEMBL3884966 0.64 TDP1 (0.80) TDP1CALM1TAAR1TSHRALDH1A1
SCHEMBL29076175 0.64 TDP1 (0.56) TDP1CALM1BCL2BCL2L1TAAR1
Phenylethyl Alcohol SCHEMBL28162594 0.64 TDP1 (0.89) TDP1TAAR1HTR2ATSHRALDH1A1
Phenylethyl Alcohol SCHEMBL11196640 0.64 TDP1 (0.89) TDP1TAAR1HTR2ATSHRALDH1A1
SCHEMBL3839140 0.64 TDP1 (0.41) TDP1BCL2BCL2L1HTR2APAX8
Phenylethyl Alcohol SCHEMBL11450063 0.63 TDP1 (1.00) TDP1CALM1TAAR1HTR2ATSHR

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-7919626-B2 Pyrazole compounds and uses thereof HELICON THERAPEUTICS, INC. (US) 2011-04-05 US disclosed
US-20070203154-A1 Therapeutic Compounds DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2007-08-30 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-20070203154-A1 Therapeutic Compounds MAOB, MAOA, HTR1B TDP1 500/4885CALM1 932/4885BCL2 1698/4885

“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.