SCHEMBL1965628

SCHEMBL1965628

C1=C(CCc2ccccc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.44
MAOB P27338 3/20 0.44
HPGD P15428 3/20 0.44
ALDH1A1 P00352 3/20 0.44
ALOX15 P16050 1/20 0.44
ALOX12 P18054 1/20 0.44
CASP1 P29466 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 2/20 0.42
CYP2A6 P11509 1/20 0.42
HTR2A P28223 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
LOXL2 Q9Y4K0 1/20 0.42
KCNH2 Q12809 1/20 0.41
GRIN2B Q13224 1/20 0.40
FFAR1 O14842 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL5798174 0.83 HPGD (0.59) MAOAMAOBHPGDALDH1A1ALOX15
SCHEMBL2564071 0.80 MAOA (0.48) MAOAMAOBHPGDALDH1A1ALOX15
SCHEMBL110859 0.78 CALM1 (0.52) ALDH1A1HTR2ATAAR1LOXL2GRIN2B
SCHEMBL28831761 0.76 CALM1 (0.50) ALDH1A1HTR2ATAAR1LOXL2GRIN2B
Hydrochloric Acid SCHEMBL28817569 0.76 CALM1 (0.50) ALDH1A1SMN1; SMN2TAAR1LOXL2
SCHEMBL9741303 0.76 ALDH1A1 (0.69) MAOAMAOBHPGDALDH1A1ALOX15
SCHEMBL62125 0.76 ALDH1A1 (0.69) MAOAMAOBHPGDALDH1A1ALOX15
Benzene SCHEMBL3440179 0.76 ALDH1A1 (0.69) MAOAMAOBHPGDALDH1A1ALOX15
SCHEMBL7806865 0.76 SIGMAR1 (0.48) MAOAMAOBHPGDALDH1A1ALOX15
Hydrochloric Acid SCHEMBL14995271 0.74 HTR2C (0.50) MAOAMAOBALDH1A1ALOX15HSD17B10

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
EP-0443688-B1 Spirodilactam-arylsulfone oligomers SHELL INT RESEARCH (NL) 1998-05-06 EP claimed
US-5059674-A Cured arylcyclobutene ether spirodilactam SHELL OIL COMPANY (US) 1991-10-22 US claimed
EP-0443688-A2 Spirodilactam-arylsulfone oligomers SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1991-08-28 EP claimed
US-4968810-A Arylcyclobutene ethers SHELL OIL COMPANY (US) 1990-11-06 US claimed
US-4921931-A Thermosetting resin compositions SHELL OIL COMPANY (US) 1990-05-01 US claimed
US-10202400-B2 Cortistatin analogues and syntheses thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2019-02-12 US disclosed
US-20170320886-A1 CORTISTATIN ANALOGUES AND SYNTHESES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2017-11-09 US disclosed
US-9714255-B2 Cortistatin analogues and syntheses thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2017-07-25 US disclosed
US-20150376201-A1 CORTISTATIN ANALOGUES AND SYNTHESES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2015-12-31 US disclosed
US-9127019-B2 Cortistatin analogues and synthesis thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2015-09-08 US disclosed
US-20150111921-A1 CORTISTATIN ANALOGUES AND SYNTHESES THEROF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2015-04-23 US disclosed
US-20110190323-A1 CORTISTATIN ANALOGUES AND SYNTHESES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2011-08-04 US disclosed
EP-0397277-A2 Modified bisphenols SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1990-11-14 EP disclosed
US-4960956-A Modified bisphenols having at least one arylcyclobutenealkyl moiety and cured products therefrom SHELL OIL COMPANY (US) 1990-10-02 US disclosed
US-4788187-A ANTISECRETORY AND ANTIULCEROGENIC AGENTS RORER PHARMACEUTICAL CORPORATION (US) 1988-11-29 US disclosed
US-4743600-A ANTIULCER, ANTISECRETORY RORER PHARMACEUTICAL CORPORATION (US) 1988-05-10 US disclosed
US-4639442-A ANTIULCER WILLIAM H. RORER, INC. (US) 1987-01-27 US disclosed
EP-0182815-A4 BENZOCYCLOBUTENE AMINOALKYLENE ETHERS AND THIOETHERS, AND THEIR PHARMACEUTICAL USES. RORER INTERNAT OVERSEAS INC (US) 1986-10-14 EP disclosed
EP-0182815-A1 BENZOCYCLOBUTENE AMINOALKYLENE ETHERS AND THIOETHERS, AND THEIR PHARMACEUTICAL USES RORER INTERNATIONAL (OVERSEAS) INC. (a Delaware corporation) (US) 1986-06-04 EP disclosed
WO-1985005032-A1 BENZOCYCLOBUTENE AMINOALKYLENE ETHERS AND THIOETHERS, AND THEIR PHARMACEUTICAL USES RORER INTERNATIONAL (OVERSEAS) INC. (US) 1985-11-21 WO 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 (5 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-20150111921-A1 CORTISTATIN ANALOGUES AND SYNTHESES THEROF TEK, CTTN, FLT1 MAOA 3600/4885MAOB 3699/4885HPGD 3200/4885
US-20110190323-A1 CORTISTATIN ANALOGUES AND SYNTHESES THEREOF CTTN, TEK, PROKR1 MAOA 2611/4885MAOB 3180/4885HPGD 2573/4885
US-10202400-B2 Cortistatin analogues and syntheses thereof CTTN, TEK, FLT1 MAOA 2742/4885MAOB 3127/4885HPGD 2779/4885
US-20150376201-A1 CORTISTATIN ANALOGUES AND SYNTHESES THEREOF CTTN, TEK, FLT1 MAOA 2742/4885MAOB 3127/4885HPGD 2779/4885
US-20170320886-A1 CORTISTATIN ANALOGUES AND SYNTHESES THEREOF CTTN, TEK, FLT1 MAOA 2742/4885MAOB 3127/4885HPGD 2779/4885

“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.