SCHEMBL7109825

SCHEMBL7109825

CN(C)Cc1c(O)cccc1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.57
TDP1 Q9NUW8 3/20 0.57
KDM4E B2RXH2 3/20 0.57
HTR2A P28223 4/20 0.47
HTR2C P28335 3/20 0.47
HTR2B P41595 2/20 0.47
ALDH1A1 P00352 6/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
GAA P10253 2/20 0.46
POLB P06746 1/20 0.46
THRB P10828 1/20 0.46
G6PD P11413 1/20 0.46
PABPC1 P11940 1/20 0.46
HKDC1 Q2TB90 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ADRB2 P07550 1/20 0.44
PKM P14618 1/20 0.44
GRIN2B Q13224 1/20 0.42
TSHR P16473 3/20 0.42

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
SCHEMBL796968 0.87 HTR2A (0.50) MAPTTDP1KDM4EHTR2AHTR2C
SCHEMBL29368415 0.87 HTR2A (0.50) MAPTTDP1KDM4EHTR2AHTR2C
SCHEMBL8388479 0.85 KDM4E (0.49) MAPTTDP1KDM4EHTR2AHTR2C
SCHEMBL27895036 0.85 KDM4E (0.49) MAPTTDP1KDM4EHTR2AHTR2C
SCHEMBL8389017 0.82 KDM4E (0.53) MAPTTDP1KDM4EALDH1A1MEN1
SCHEMBL8390992 0.80 KDM4E (0.45) MAPTTDP1KDM4EHTR2AHTR2C
SCHEMBL6306446 0.80 MAPT (0.45) MAPTTDP1KDM4EHTR2AHTR2C
Hydrochloric Acid SCHEMBL27561698 0.79 ALDH1A1 (0.50) MAPTTDP1KDM4EALDH1A1MEN1
SCHEMBL12088427 0.78 GPR35 (0.51) MAPTTDP1KDM4EALDH1A1MEN1
SCHEMBL28220718 0.78 TSHR (0.57) MAPTTDP1KDM4EHTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105315433-A Low-free high-compatibility toluene diisocyanate trimer curing agent and preparation method thereof UNIV SOUTH CHINA TECH 2016-02-10 CN claimed
CN-102898816-A Preparation method of moisture-permeable thermoplastic polyurethane elastomer AUSTIN NOVEL MATERIALS ZHANGJIAGANG CO LTD 2013-01-30 CN claimed
CN-105315433-A Low-free high-compatibility toluene diisocyanate trimer curing agent and preparation method thereof UNIV SOUTH CHINA TECH 2016-02-10 CN disclosed
CN-102898816-A Preparation method of moisture-permeable thermoplastic polyurethane elastomer AUSTIN NOVEL MATERIALS ZHANGJIAGANG CO LTD 2013-01-30 CN disclosed
EP-1353636-A1 NOVEL COUPLERS FOR USE IN OXIDATIVE HAIR DYEING P & G-Clairol, Inc. (US) 2003-10-22 EP disclosed
WO-2002094208-A1 NOVEL COUPLERS FOR USE IN OXIDATIVE HAIR DYEING P & G - CLAIROL, INC. (US) 2002-11-28 WO disclosed
US-20020147193-A1 Novel couplers for use in oxidative hair dyeing CLAIROL INCORPORATED 2002-10-10 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-20020147193-A1 Novel couplers for use in oxidative hair dyeing CBR1, CBR3, MT-CO1 MAPT 3531/4885TDP1 1337/4885KDM4E 1715/4885

“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.