SCHEMBL13021602

SCHEMBL13021602

Cc1coc2c1CCCC2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.53
TSHR P16473 4/20 0.53
CYP2A6 P11509 2/20 0.53
CYP2A13 Q16696 1/20 0.53
ALOX5 P09917 1/20 0.40
DRD2 P14416 1/20 0.40
KDM4E B2RXH2 3/20 0.36
HSD17B10 Q99714 3/20 0.36
HPGD P15428 1/20 0.36
MAOA P21397 3/20 0.34
MAPK1 P28482 2/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.31
GAA P10253 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31
NPC1 O15118 1/20 0.30
MAPT P10636 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL13021597 0.95
Menthofuran SCHEMBL113711 0.70 ALDH1A1 (1.00) ALDH1A1TSHRCYP2A6CYP2A13ALOX5
SCHEMBL10511982 0.70 CYP2A6 (0.44) ALDH1A1TSHRCYP2A6CYP2A13ALOX5
Menthofuran SCHEMBL12013745 0.70 ALDH1A1 (1.00) ALDH1A1TSHRCYP2A6CYP2A13ALOX5
Menthofuran SCHEMBL1472618 0.70 ALDH1A1 (1.00) ALDH1A1TSHRCYP2A6CYP2A13ALOX5
SCHEMBL266599 0.67 ALDH1A1 (0.47) ALDH1A1TSHRCYP2A6CYP2A13KDM4E
SCHEMBL16982242 0.67 SMN1; SMN2 (0.34) ALDH1A1TSHRMAOAMAPK1HTT
SCHEMBL17861313 0.65 MAOA (0.59) ALDH1A1TSHRKDM4EHSD17B10HPGD
SCHEMBL13021606 0.63 ALDH1A1 (0.34) ALDH1A1TSHRCYP2A6CYP2A13DRD2
SCHEMBL8264475 0.62 TSHR (0.39) ALDH1A1TSHRHSD17B10MAOAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023096850-A1 PHOSPHOINOSITIDE 3 KINASE GAMMA INHIBITORS AND COMPOSITIONS AND METHODS THEREOF GEODE THERAPEUTICS INC. (US) 2023-06-01 WO disclosed
US-20220393115-A1 ORGANIC ELECTROLUMINESCENT MATERIAL AND DEVICE THEREOF Beijing Summer Sprout Technology Co., Ltd. (CN) 2022-12-08 US disclosed
WO-2020249664-A1 SULFONYLUREA DERIVATIVES AND USES THEREOF NodThera Limited (GB) 2020-12-17 WO disclosed
US-20100286360-A1 POLYMER COMPOUND AND POLYMER LIGHT EMITTING DEVICE USING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-11-11 US disclosed
US-20100286360-A1 POLYMER COMPOUND AND POLYMER LIGHT EMITTING DEVICE USING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-11-11 US disclosed
US-20090061471-A1 Methods and systems for selective fluorination of organic molecules INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2009-03-05 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-20100286360-A1 POLYMER COMPOUND AND POLYMER LIGHT EMITTING DEVICE USING THE SAME IGF1R, SCO2, CRY1 ALDH1A1 579/4885TSHR 2414/4885CYP2A6 2054/4885
US-20220393115-A1 ORGANIC ELECTROLUMINESCENT MATERIAL AND DEVICE THEREOF LEF1, L1CAM, PIEZO1 ALDH1A1 307/4885TSHR 3801/4885CYP2A6 3670/4885

“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.