Sugi Predict

Sugi Predict / Compounds / SCHEMBL4130904

SCHEMBL4130904

SCHEMBL4130904

CCCc1c(C)[nH]c2ccc3[nH]c(=O)cc(Cl)c3c12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KRAS P01116 1/20 0.44
▸ AR P10275 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ PSMD14 O00487 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ HSD17B10 Q99714 2/20 0.40
▸ TSHR P16473 1/20 0.40
▸ SLC2A1 P11166 1/20 0.40
▸ LMNA P02545 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ ERN1 O75460 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ HTT P42858 2/20 0.38

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
SCHEMBL4145059 0.88 AR (0.49) KRASARALDH1A1KDM4ERXFP1
SCHEMBL4146390 0.80 KDM4E (0.52) ARALDH1A1KDM4ELMNACYP1A2
SCHEMBL4183037 0.79 MAPT (0.47) ALDH1A1TDP1HSD17B10LMNASMN1; SMN2
SCHEMBL4131665 0.78 AR (0.47) ARALDH1A1HPGDKDM4ERXFP1
SCHEMBL20286620 0.75 KRAS (0.74) KRASHTTADRA2AADRA2BADRA2C
SCHEMBL4140389 0.73 AR (0.67) ARHSD17B10TSHR
SCHEMBL4134000 0.73 AR (0.52) ARALDH1A1KDM4ERXFP1LMNA
SCHEMBL4138424 0.71 PDE10A (0.46) ARALDH1A1HPGDKDM4ERXFP1
SCHEMBL4149404 0.70 AR (0.53) ARHPGDTSHRLMNASMN1; SMN2
SCHEMBL17424773 0.70 AR (0.38) ARALDH1A1HPGDKDM4ERXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1891067-B1 ANDROGEN RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARM INC (US) 2016-01-13 — — EP claimed
US-8580811-B2 Androgen receptor modulator methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2013-11-12 — — US claimed
US-20120165362-A1 Androgen receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED 2012-06-28 — — US claimed
US-8193357-B2 Androgen receptor modulator compounds LIGAND PHARMACEUTICALS INCORPORATED (US) 2012-06-05 — — US claimed
US-20090264455-A9 Androgen Receptor Modulator Compounds and Methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2009-10-22 — — US claimed
US-20090030027-A1 Androgen Receptor Modulator Compounds and Methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2009-01-29 — — US claimed
EP-1891067-B1 ANDROGEN RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARM INC (US) 2016-01-13 — — EP disclosed
US-8580811-B2 Androgen receptor modulator methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2013-11-12 — — US disclosed
US-8580811-B2 Androgen receptor modulator methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2013-11-12 — — US disclosed
US-8580811-B2 Androgen receptor modulator methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2013-11-12 — — US disclosed
US-20120165362-A1 Androgen receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED 2012-06-28 — — US disclosed
US-20120165362-A1 Androgen receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED 2012-06-28 — — US disclosed
US-20120165362-A1 Androgen receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED 2012-06-28 — — US disclosed
US-8193357-B2 Androgen receptor modulator compounds LIGAND PHARMACEUTICALS INCORPORATED (US) 2012-06-05 — — US disclosed
US-20090264455-A9 Androgen Receptor Modulator Compounds and Methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2009-10-22 — — US disclosed
US-20090264455-A9 Androgen Receptor Modulator Compounds and Methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2009-10-22 — — US disclosed
US-20090264455-A9 Androgen Receptor Modulator Compounds and Methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2009-10-22 — — US disclosed
US-20090030027-A1 Androgen Receptor Modulator Compounds and Methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2009-01-29 — — US disclosed
US-20090030027-A1 Androgen Receptor Modulator Compounds and Methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2009-01-29 — — US disclosed
US-20090030027-A1 Androgen Receptor Modulator Compounds and Methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2009-01-29 — — 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 (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-20090030027-A1 Androgen Receptor Modulator Compounds and Methods AR, NR5A1, ESRRA KRAS 3662/4885AR 1/4885ALDH1A1 1373/4885
US-20120165362-A1 Androgen receptor modulator compounds and methods AR, NR5A1, ESRRA KRAS 3662/4885AR 1/4885ALDH1A1 1373/4885
US-20090264455-A9 Androgen Receptor Modulator Compounds and Methods AR, NR5A1, ESRRA KRAS 3662/4885AR 1/4885ALDH1A1 1373/4885

“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.