SCHEMBL17033191

SCHEMBL17033191

CCc1cccc(-c2cccccc2=O)c1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 2/20 0.43
HDAC2 Q92769 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
CYP2D6 P10635 2/20 0.38
KDM4E B2RXH2 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CDC25A P30304 2/20 0.38
CDC25B P30305 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
MAP2K7 O14733 1/20 0.38
GMNN O75496 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
POLB P06746 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 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
SCHEMBL23433229 0.81 KDM4E (0.41) HDAC4HDAC2HDAC8CYP2D6KDM4E
SCHEMBL17034438 0.79 HDAC4 (0.45) HDAC4HDAC2HDAC8CYP2D6KDM4E
SCHEMBL7916537 0.77 TAAR1 (0.50) CYP1A2
SCHEMBL8408142 0.77 GABRA1 (0.50) KDM4ESMN1; SMN2ALDH1A1MAPTTP53
SCHEMBL18311506 0.77 PDCD1 (0.47) HDAC4HDAC2HDAC8CYP2D6RAB9A
SCHEMBL17698893 0.76 KMT2A (0.41) KDM4ERAB9AALDH1A1LMNAHPGD
SCHEMBL22590593 0.76 CD274 (0.43) ALDH1A1MAPTKMT2AMITFHTT
SCHEMBL17039134 0.75 CYP2D6 (0.39) CYP2D6RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL17034471 0.75 HTR1A (0.39) CYP2D6RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL18649204 0.75 HDAC4 (0.42) HDAC4HDAC2HDAC8CYP2D6KDM4E

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-20170298085-A1 CARBAMATE, ESTER, AND KETONE COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2017-10-19 US disclosed
US-9758537-B2 Compounds for treatment of complement mediated disorders ACHILLION PHARMACEUTICALS (US) 2017-09-12 US disclosed
US-9598446-B2 Amino compounds for treatment of complement mediated disorders ACHILLION PHARMACEUTICALS, INC. (US) 2017-03-21 US disclosed
US-20160361329-A1 COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2016-12-15 US disclosed
US-20160362432-A1 PHOSPHONATE COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2016-12-15 US disclosed
US-20150239838-A1 Compounds for Treatment of Complement Mediated Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2015-08-27 US disclosed
US-20150239920-A1 Ether Compounds for Treatment of Complement Mediated Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2015-08-27 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 (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-20150239838-A1 Compounds for Treatment of Complement Mediated Disorders CFD, TFPI, CFH HDAC4 1444/4885HDAC2 1757/4885HDAC8 2215/4885
US-20160362432-A1 PHOSPHONATE COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS CFD, CFH, TFPI HDAC4 3991/4885HDAC2 3968/4885HDAC8 4070/4885
US-20160361329-A1 COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS CFD, CFH, TFPI HDAC4 3502/4885HDAC2 3401/4885HDAC8 3316/4885
US-20150239920-A1 Ether Compounds for Treatment of Complement Mediated Disorders TFPI, CFD, C9 HDAC4 1576/4885HDAC2 1132/4885HDAC8 1906/4885
US-20170298085-A1 CARBAMATE, ESTER, AND KETONE COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS CFD, C9, CFH HDAC4 427/4885HDAC2 722/4885HDAC8 1114/4885

“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.