SCHEMBL316802

SCHEMBL316802

O=C(c1ccccc1O)n1ccnn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNMA1 Q12791 6/20 0.46
ALDH1A1 P00352 5/20 0.42
HPGD P15428 4/20 0.42
KDM4E B2RXH2 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
HMGB1 P09429 1/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
NAPRT Q6XQN6 1/20 0.42
CA14 Q9ULX7 1/20 0.42
ELANE P08246 2/20 0.41
HSD17B10 Q99714 2/20 0.41
MAPT P10636 2/20 0.41
TSHR P16473 2/20 0.41
PTGS1 P23219 1/20 0.41

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
SCHEMBL21816275 0.77 F2 (0.46) ALDH1A1HPGDKDM4ESMN1; SMN2ELANE
SCHEMBL4338282 0.72 KDM4E (0.50) ALDH1A1HPGDKDM4ESMN1; SMN2CA1
SCHEMBL27880869 0.70 KDM4E (0.52) KCNMA1ALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL8121292 0.69 LMNA (0.46) KCNMA1ALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL166053 0.68 FOLH1 (0.32)
SCHEMBL10431336 0.67 HPGD (0.54) KCNMA1ALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL6920277 0.67 KCNMA1 (0.51) KCNMA1ALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL8009694 0.67 KDM4E (0.44) KCNMA1ALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL11718417 0.66 MEN1 (0.61) ALDH1A1HPGDKDM4ESMN1; SMN2CA12
SCHEMBL31347868 0.66 MEN1 (0.61) ALDH1A1HPGDKDM4ESMN1; SMN2CA12

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109897085-A A kind of tripterygium wilfordii derivative and application 上海健康医学院 2019-06-18 CN disclosed
CN-103890010-B Anti-human-HER3 antibodies and uses thereof 法国国家健康医学研究院 2017-04-19 CN disclosed
US-20170049903-A1 COMPLEXING AGENTS FOR COMPOSITIONS CONTAINING INCLUSION COMPLEXES CALIFORNIA INSTITUTE OF TECHNOLOGY 2017-02-23 US disclosed
US-20150050233-A1 COMPOSITIONS CONTAINING INCLUSION COMPLEXES CALANDO PHARMACEUTICALS, INC. (US) 2015-02-19 US disclosed
US-20150031753-A1 COMPLEXING AGENTS FOR COMPOSITIONS CONTAINING INCLUSION COMPLEXES CALANDO PHARMACEUTICALS, INC. (US) 2015-01-29 US disclosed
CN-103890010-A Anti-human-HER3 antibodies and uses thereof INST NAT SANTE RECH MED 2014-06-25 CN disclosed
US-20130197210-A1 COMPLEXING AGENTS FOR COMPOSITIONS CONTAINING INCLUSION COMPLEXES CALANDO PHARMACEUTICALS, INC. (US) 2013-08-01 US disclosed
US-8277846-B2 Complexing agents for compositions containing inclusion complexes CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2012-10-02 US disclosed
US-20120172525-A1 COMPOSITIONS CONTAINING INCLUSION COMPLEXES CALANDO PHARMACEUTICALS, INC. (US) 2012-07-05 US disclosed
US-8092833-B2 Compositions containing inclusion complexes CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2012-01-10 US disclosed
US-20060182795-A1 Compositions containing inclusion complexes CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2006-08-17 US disclosed
US-7018609-B2 Compositions containing inclusion complexes CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2006-03-28 US disclosed
EP-1351710-A2 COMPOSITIONS CONTAINING INCLUSION COMPLEXES CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2003-10-15 EP disclosed
US-20030017972-A1 Complexing agents for compositions containing inclusion complexes CALIFORNIA INSTITUTE OF TECHNOLOGY AND INSERT THERAPEUTICS, INC 2003-01-23 US disclosed
US-20030008818-A1 Compositions containing inclusion complexes CALIFORNIA INSTITUTE OF TECHNOLOGY AND INSERT THERAPEUTICS, INC 2003-01-09 US disclosed
WO-2002049676-A2 COMPOSITIONS CONTAINING INCLUSION COMPLEXES CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2002-06-27 WO disclosed
US-6403713-B2 CROSSLINKING WITH PHENOL-FORMALDEHYDE RESIN, 3-(N-SALICYLOYL) AMINO-1,2,4-TRIAZOLE, AND HYDRAZIDE FORMING BUTYL RUBBER; RESILIENT AND LOW CORROSIVITY; HALOGEN-FREE ONIZAWA MASAO (JP) 2002-06-11 US disclosed
US-20010027235-A1 Method for crosslinking of isoprene-isobutylene rubber, ethylene-propylene-diene rubber containing ethylidenenorbornene as unsaturated component, or mixture thereof; and crosslinked rubber product obtained by said method ONIZAWA MASAO (JP) 2001-10-04 US disclosed
WO-1996030407-A1 BIFUNCTIONAL THROMBIN INHIBITORS BEARING HIGHLY TRUNCATED FIBRINOGEN RECOGNITION EXOSITE BINDING COMPONENT NATIONAL RESEARCH COUNCIL OF CANADA (CA) 1996-10-03 WO disclosed
CN-85109633-A Process for the preparation of antibiotic derivatives 1987-01-07 CN 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 (6 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-20030008818-A1 Compositions containing inclusion complexes EXOSC5, EXOSC9, INTS6 KCNMA1 4082/4885ALDH1A1 2718/4885HPGD 2122/4885
US-20150031753-A1 COMPLEXING AGENTS FOR COMPOSITIONS CONTAINING INCLUSION COMPLEXES INTS6, EXOSC5, PCBP1 KCNMA1 4096/4885ALDH1A1 3199/4885HPGD 1798/4885
US-20060182795-A1 Compositions containing inclusion complexes INTS6, EXOSC5, EXOSC9 KCNMA1 4289/4885ALDH1A1 3373/4885HPGD 1727/4885
US-20030017972-A1 Complexing agents for compositions containing inclusion complexes INTS6, EXOSC5, PCBP1 KCNMA1 3873/4885ALDH1A1 2762/4885HPGD 1866/4885
US-20150050233-A1 COMPOSITIONS CONTAINING INCLUSION COMPLEXES EXOSC5, EXOSC9, INTS6 KCNMA1 4187/4885ALDH1A1 2996/4885HPGD 2109/4885
US-20170049903-A1 COMPLEXING AGENTS FOR COMPOSITIONS CONTAINING INCLUSION COMPLEXES INTS6, EXOSC5, PCBP1 KCNMA1 4096/4885ALDH1A1 3199/4885HPGD 1798/4885

“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.