SCHEMBL4085727

SCHEMBL4085727

COc1cccc(-c2ccc3c(c2)CCCC3=O)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 2/20 0.60
BRD4 O60885 2/20 0.50
MAPK14 Q16539 2/20 0.50
FGFR1 P11362 1/20 0.48
CHEK1 O14757 1/20 0.48
ALKBH3 Q96Q83 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
MAOA P21397 2/20 0.46
MAOB P27338 2/20 0.46
PRKCI P41743 1/20 0.46
TMEM97 Q5BJF2 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
ESR1 P03372 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP11B1 P15538 1/20 0.46
CYP11B2 P19099 1/20 0.46
DHODH Q02127 2/20 0.46
MAPKAPK2 P49137 1/20 0.45
PGR P06401 1/20 0.45

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
SCHEMBL3989419 0.91 CYP11B1 (0.55) HSD17B1BRD4CHEK1ALKBH3HDAC4
SCHEMBL3010868 0.87 HSD17B1 (0.65) HSD17B1BRD4MAPK14MAOAMAOB
SCHEMBL115638 0.83 MAOA (0.58) HSD17B1MAOAMAOBPRKCICYP11B2
SCHEMBL4424565 0.81 PARP10 (0.61) HSD17B1MAPK14MAOAMAOBPRKCI
SCHEMBL7584101 0.80 HSD17B1 (0.73) HSD17B1MAOAMAOBPRKCICYP1A2
SCHEMBL29756894 0.80 MAOA (0.58) HSD17B1MAPK14MAOAMAOBPRKCI
SCHEMBL1495967 0.80 MAOA (0.58) HSD17B1MAPK14MAOAMAOBPRKCI
SCHEMBL5124219 0.80 ESR1 (0.46) FGFR1HDAC4HDAC8TMEM97SIGMAR1
SCHEMBL5124217 0.80 ESR1 (0.46) FGFR1HDAC4HDAC8TMEM97SIGMAR1
SCHEMBL4095412 0.79 MAOA (0.77) HSD17B1BRD4MAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090325916-A1 5-ARYL INDAN-1-ONE AND ANALOGS USEFUL AS PROGESTERONE RECEPTOR MODULATORS WYETH (US) 2009-12-31 US disclosed
US-20090186900-A1 COMPOUND STERIX LIMITED (GB) 2009-07-23 US disclosed
US-20090186900-A1 COMPOUND STERIX LIMITED (GB) 2009-07-23 US disclosed
US-20090186900-A1 COMPOUND STERIX LIMITED (GB) 2009-07-23 US disclosed
EP-2013176-A2 DIARYL COMPOUNDS AS NON-STEROIDAL INHIBITORS OF 17-BETA HYDROXYSTEROID DEHYDROGENASE AND/OR STEROID SULPHATASE FOR THE TREATMENT OF OESTROGEN-RELATED DISEASES SUCH AS HORMONE DEPENDENT BREAST CANCER Sterix Limited (GB) 2009-01-14 EP disclosed
US-7414142-B2 5-aryl-indan-1-one oximes and analogs useful as progesterone receptor modulators WYETH (US) 2008-08-19 US disclosed
US-20080119537-A1 5-Aryl indan-1 one and analogs useful as progesterone receptor modulators WYETH (US) 2008-05-22 US disclosed
US-7319152-B2 Contraception, hormone replacement therapy, cycle-related symptoms, or benign or malignant neoplastic disease; -methyl-5-(5-oxo-5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrrole-2-carbonitrile WYETH (US) 2008-01-15 US disclosed
WO-2007096647-A2 DIARYL COMPOUNDS AS NON-STEROIDAL INHIBITORS OF 17-BETA HYDROXYSTEROID DEHYDROGENASE AND/OR STEROID SULPHATASE FOR THE TREATMENT OF OESTROGEN-RELATED DISEASES SUCH AS HORMONE DEPENDENT BREAST CANCER STERIX LIMITED (GB) 2007-08-30 WO disclosed
WO-2007096647-A2 DIARYL COMPOUNDS AS NON-STEROIDAL INHIBITORS OF 17-BETA HYDROXYSTEROID DEHYDROGENASE AND/OR STEROID SULPHATASE FOR THE TREATMENT OF OESTROGEN-RELATED DISEASES SUCH AS HORMONE DEPENDENT BREAST CANCER STERIX LIMITED (GB) 2007-08-30 WO disclosed
US-20070066628-A1 5-Aryl-indan-1-ol and analogs useful as progesterone receptor modulators WYETH (US) 2007-03-22 US disclosed
US-20070066675-A1 5-Aryl-indan-1-one and analogs useful as progesterone receptor modulators WYETH (US) 2007-03-22 US disclosed
US-20070066637-A1 5-Aryl-indan-1-one oximes and analogs useful as progesterone receptor modulators WYETH (US) 2007-03-22 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 (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-20070066628-A1 5-Aryl-indan-1-ol and analogs useful as progesterone receptor modulators PGR, CYP19A1, GNRHR HSD17B1 113/4885BRD4 2043/4885MAPK14 2976/4885
US-20070066675-A1 5-Aryl-indan-1-one and analogs useful as progesterone receptor modulators PGR, CYP19A1, GNRHR HSD17B1 146/4885BRD4 1460/4885MAPK14 3495/4885
US-20090186900-A1 COMPOUND HSD17B2, HSD17B11, CYP17A1 HSD17B1 4/4885BRD4 3565/4885MAPK14 3443/4885
US-20090325916-A1 5-ARYL INDAN-1-ONE AND ANALOGS USEFUL AS PROGESTERONE RECEPTOR MODULATORS CYP19A1, PGR, NR5A1 HSD17B1 58/4885BRD4 2873/4885MAPK14 1989/4885
US-20080119537-A1 5-Aryl indan-1 one and analogs useful as progesterone receptor modulators CYP19A1, PGR, NR5A1 HSD17B1 64/4885BRD4 2550/4885MAPK14 2255/4885
US-20070066637-A1 5-Aryl-indan-1-one oximes and analogs useful as progesterone receptor modulators CYP19A1, PGR, GNRHR HSD17B1 125/4885BRD4 2450/4885MAPK14 2303/4885

“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.