SCHEMBL13264346

SCHEMBL13264346

NC1C=C(c2ccccc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 4/20 0.38
MAOB P27338 3/20 0.38
OAT P04181 1/20 0.35
ALDH1A1 P00352 1/20 0.35
PLAU P00749 1/20 0.34
MAOA P21397 2/20 0.33
CYP2C19 P33261 2/20 0.33
ANPEP P15144 1/20 0.33
IL1RN P18510 1/20 0.33
ERAP2 Q6P179 1/20 0.33
ERAP1 Q9NZ08 1/20 0.33
CYP2B6 P20813 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CKS1B P61024 1/20 0.33
SKP1 P63208 1/20 0.33
SKP2 Q13309 1/20 0.33

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
SCHEMBL16423211 0.78 KDM1A (0.38) KDM1AMAOBMAOA
SCHEMBL733324 0.73 SLC18A3 (0.38) ALDH1A1SIGMAR1
SCHEMBL14336758 0.70 PLAU (0.41) KDM1AMAOBPLAUSIGMAR1
Biphenyl SCHEMBL27474545 0.69 ALDH1A1 (0.56) KDM1AMAOBALDH1A1PLAUMAOA
SCHEMBL7357477 0.68 RAB9A (0.41) ALDH1A1LMNA
SCHEMBL23614560 0.65 CYP11B2 (0.33) ALDH1A1SIGMAR1
SCHEMBL8187300 0.65 SLC18A3 (0.39) ALDH1A1CYP1A2CYP2C9
SCHEMBL7593570 0.65 KDM1A (0.39) KDM1AMAOBALDH1A1SIGMAR1
SCHEMBL18045066 0.65 PLAU (0.45) KDM1AMAOBALDH1A1PLAUMAOA
SCHEMBL17257754 0.62

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-7754899-B2 Method for producing optically active aziridine compounds and amine compounds as well as complexes and their intermediates used in this method JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2010-07-13 US disclosed
US-20080081916-A1 Method for Producing Optically Active Aziridine Compounds and Amine Compounds as Well as Complexes and their Intermadiates Used in this Method JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2008-04-03 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-20080081916-A1 Method for Producing Optically Active Aziridine Compounds and Amine Compounds as Well as Complexes and their Intermadiates Used in this Method INTS9, RAD54L, CD99 KDM1A 1834/4885MAOB 23/4885OAT 2224/4885

“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.