SCHEMBL3640912

SCHEMBL3640912

COC(=O)c1cc(Cl)cc(COC2CCCCO2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
CREBBP Q92793 2/20 0.46
EP300 Q09472 1/20 0.45
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
MAPT P10636 3/20 0.40
HPGD P15428 2/20 0.40
XBP1 P17861 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
P2RX3 P56373 1/20 0.39
GAA P10253 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ICAM1 P05362 1/20 0.37
SELE P16581 1/20 0.37
LMNA P02545 1/20 0.37
CFTR P13569 1/20 0.36

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
SCHEMBL4315290 0.87 CREBBP (0.58) ALDH1A1CREBBPEP300KMT2AMEN1
SCHEMBL3645168 0.87 CREBBP (0.52) CREBBPEP300KMT2AMEN1MAPT
SCHEMBL10235987 0.86 ALDH1A1 (0.49) ALDH1A1CREBBPEP300KMT2AMEN1
SCHEMBL2526406 0.86 CREBBP (0.48) ALDH1A1CREBBPEP300KMT2AMEN1
SCHEMBL4310575 0.85 CREBBP (0.53) ALDH1A1CREBBPEP300KMT2AMEN1
SCHEMBL2532113 0.83 HTT (0.44) ALDH1A1CREBBPEP300KMT2AMEN1
SCHEMBL4313076 0.83 CREBBP (0.49) ALDH1A1CREBBPEP300KMT2AMEN1
SCHEMBL4490282 0.82 PPM1D (0.49) ALDH1A1CREBBPEP300MAPTHPGD
SCHEMBL3809200 0.82 KMT2A (0.48) ALDH1A1CREBBPEP300KMT2AMEN1
SCHEMBL12188527 0.81 ICAM1 (0.45) ALDH1A1CREBBPEP300KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9765065-B2 Therapeutic substituted cyclopentanes ALLERGAN, INC. (US) 2017-09-19 US disclosed
US-20170144999-A1 THERAPEUTIC SUBSTITUTED CYCLOPENTANES ALLERGAN, INC. 2017-05-25 US disclosed
US-9591935-B2 Therapeutic substituted cyclopentanes ALLERGEN, INC. (US) 2017-03-14 US disclosed
EP-2170345-B1 THERAPEUTIC SUBSTITUTED CYCLOPENTANES FOR REDUCING INTRAOCULAR PRESSURE ALLERGAN INC (US) 2013-03-06 EP disclosed
US-20110062165-A1 BALANCED INDIVIDUAL DINING PLATE ALLERGAN INC 2011-03-17 US disclosed
EP-2170345-A1 THERAPEUTIC SUBSTITUTED CYCLOPENTANES FOR REDUCING INTRAOCULAR PRESSURE Allergan, Inc. (US) 2010-04-07 EP disclosed
WO-2009006370-A1 THERAPEUTIC SUBSTITUTED CYCLOPENTANES FOR REDUCING INTRAOCULAR PRESSURE ALLERGAN, INC. (US) 2009-01-08 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 (1 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-20170144999-A1 THERAPEUTIC SUBSTITUTED CYCLOPENTANES CYP11B2, CYP11B1, HMGCR ALDH1A1 503/4885CREBBP 1226/4885EP300 1285/4885

“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.