SCHEMBL5154589

SCHEMBL5154589

N#Cc1ccc(B2OCCCO2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.37
CA2 P00918 2/20 0.37
ALDH1A1 P00352 1/20 0.37
CA12 O43570 1/20 0.37
CA3 P07451 1/20 0.37
CA6 P23280 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
TSHR P16473 1/20 0.34
MAOA P21397 2/20 0.34
MAOB P27338 2/20 0.34
HRH3 Q9Y5N1 3/20 0.33
LOXL2 Q9Y4K0 1/20 0.33
MMP3 P08254 1/20 0.33
ENPP2 Q13822 1/20 0.33
HRH2 P25021 2/20 0.33
HRH1 P35367 2/20 0.33
CHRM1 P11229 1/20 0.33
PDE4A P27815 1/20 0.33
ADRA1A P35348 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
SCHEMBL594673 0.92 CYP2A6 (0.39) CYP2A6CA2ALDH1A1CA12CA3
SCHEMBL3686725 0.82
SCHEMBL31336299 0.80 HRH3 (0.43) CYP2A6ALDH1A1HRH3HRH2HRH1
SCHEMBL6826037 0.78 ENPP2 (0.37) ALDH1A1TSHRMAOBENPP2PDE4A
SCHEMBL14985961 0.76 CA2 (0.44) CYP2A6CA2ALDH1A1CA12CA3
SCHEMBL5891951 0.76 POLB (0.39) CYP2A6CA2ALDH1A1CA12CA3
SCHEMBL6828850 0.72 LPL (0.42)
SCHEMBL7590626 0.72 CYP2A6 (0.36) CYP2A6
SCHEMBL16876888 0.72
SCHEMBL7591877 0.72 ACHE (0.36) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8945820-B2 Silicon-containing resist underlayer film-forming composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2015-02-03 US disclosed
US-20130137271-A1 SILICON-CONTAINING RESIST UNDERLAYER FILM-FORMING COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2013-05-30 US disclosed
US-7297702-B2 Contraception method using competitive progesterone antagonists and novel compounds useful therein SCHERING AKTIENGESELLSCHAFT (DE) 2007-11-20 US disclosed
US-20050026885-A1 Contraception method using competitive progesterone antagonists and novel compounds useful therein BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2005-02-03 US disclosed
US-6790853-B2 SIDE EFFECT REDUCTION; HORMONE INHIBITOR SCHERING AG (DE) 2004-09-14 US disclosed
US-20030191102-A1 Contraception method using competitive progesterone antagonists and novel compounds useful therein SCHERING AG (DE) 2003-10-09 US disclosed
US-6608074-B2 Administering during follicular phase of female menstrual cycle and in luteal phase, a competitive progesterone antagonist, which is less than an ovulation-inhibiting dose and less than an abortion-inductive dose SCHERING AG (DE) 2003-08-19 US disclosed
EP-0639970-B2 CONTRACEPTION METHOD USING COMPETITIVE PROGESTERONE ANTAGONISTS AND NOVEL COMPOUNDS USEFUL THEREIN SCHERING AG (DE) 2002-11-06 EP disclosed
EP-0675118-B1 Biphenylderivatives, process for their preparation and their use as medicaments EISAI CO LTD (JP) 2002-10-09 EP disclosed
US-20020058649-A1 Contraception method using competitive progesterone antagonists and novel compounds useful therein SCHERING AG (DE) 2002-05-16 US disclosed
US-6340688-B1 ADMINISTERING TO FEMALE DURING MENSTRUAL CYCLE AMOUNT OF COMPETITIVE PROGESTERONE ANTAGONIST WHICH IS LESS THAN OVULATION-INHIBITING DOSE AND LESS THAN ABORTION-INDUCTIVE DOSE SCHERING AKTIENGESELLSCHAFT (DE) 2002-01-22 US disclosed
US-6281214-B1 USEFUL FOR TREATING AND AMELIORATING MENTAL DISORDERS EISAI CO., LTD (JP) 2001-08-28 US disclosed
EP-0639970-B1 CONTRACEPTION METHOD USING COMPETITIVE PROGESTERONE ANTAGONISTS AND NOVEL COMPOUNDS USEFUL THEREIN SCHERING AG (DE) 1998-01-28 EP disclosed
EP-0675118-A2 Biphenylderivatives, process for their preparation and their use as medicaments Eisai Co., Ltd. (JP) 1995-10-04 EP disclosed
US-5439913-A 11B,19-(4-(Cyanophenyl)-o-phenylene)-17B-hydroxy-17a-(3-hydroxyprop -1(Z)-enyl)-4-androsten-3-one or 11B,19-(4-(3-pyridinyl)-o-phenylene)-17B-hydroxy-17a-(3-hydroxyprop-1(Z) -enyl)-4-androsten-3-one SCHERING AKTIENGESELLSCHAFT (DE) 1995-08-08 US disclosed
EP-0639970-A1 CONTRACEPTION METHOD USING COMPETITIVE PROGESTERONE ANTAGONISTS AND NOVEL COMPOUNDS USEFUL THEREIN SCHERING AKTIENGESELLSCHAFT (DE) 1995-03-01 EP disclosed
WO-1993023020-A1 CONTRACEPTION METHOD USING COMPETITIVE PROGESTERONE ANTAGONISTS AND NOVEL COMPOUNDS USEFUL THEREIN SCHERING AKTIENGESELLSCHAFT (DE) 1993-11-25 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 (3 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-20050026885-A1 Contraception method using competitive progesterone antagonists and novel compounds useful therein PGR, PGRMC1, HSD17B11 CYP2A6 99/4885CA2 4531/4885ALDH1A1 1039/4885
US-20020058649-A1 Contraception method using competitive progesterone antagonists and novel compounds useful therein PGR, PGRMC1, PGRMC2 CYP2A6 82/4885CA2 4416/4885ALDH1A1 1647/4885
US-20030191102-A1 Contraception method using competitive progesterone antagonists and novel compounds useful therein PGR, PGRMC1, PGRMC2 CYP2A6 82/4885CA2 4416/4885ALDH1A1 1647/4885

“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.