SCHEMBL10952971

SCHEMBL10952971

O=C(Cl)CCCCCc1ccc(Cl)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.64
HDAC4 P56524 1/20 0.64
HDAC1 Q13547 1/20 0.64
HDAC7 Q8WUI4 1/20 0.64
HDAC2 Q92769 1/20 0.64
HDAC10 Q969S8 1/20 0.64
HDAC11 Q96DB2 1/20 0.64
HDAC8 Q9BY41 1/20 0.64
HDAC6 Q9UBN7 1/20 0.64
HDAC9 Q9UKV0 1/20 0.64
HDAC5 Q9UQL6 1/20 0.64
LTB4R Q15722 2/20 0.52
NAAA Q02083 1/20 0.52
IGF1R P08069 1/20 0.50
ALOX15 P16050 1/20 0.50
MAPT P10636 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
PLAAT3 P53816 2/20 0.48
PLAAT5 Q96KN8 2/20 0.48
PLAAT2 Q9NWW9 2/20 0.48

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
SCHEMBL9663077 1.00 HDAC3 (0.64) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3249001 0.98 HDAC3 (0.66) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL11572521 0.92 HDAC3 (0.58) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8171842 0.86 HDAC3 (0.66) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL11204036 0.85 MAPT (0.69) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3246509 0.85 MAPT (0.69) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6405251 0.85 MAPT (0.69) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL10276969 0.85 MAPT (0.69) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL951697 0.85 MAPT (0.69) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL27498895 0.85 HDAC3 (0.64) HDAC3HDAC4HDAC1HDAC7HDAC2

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-10174015-B2 Substituted heterocyclic derivative, preparation method and use thereof XIAMEN UNIVERSITY (CN) 2019-01-08 US disclosed
US-20170334896-A1 Substituted Heterocyclic Derivative, Preparation Method And Use Thereof XIAMEN UNIVERSITY (CN) 2017-11-23 US disclosed
CN-107074788-A Substituted heterocyclic derivatives, preparation method and application thereof 厦门大学 2017-08-18 CN disclosed
US-4536346-A TREATMENT OF ATHEROSCLEROSIS AMERICAN CYANAMID COMPANY (US) 1985-08-20 US disclosed
EP-0124791-A1 Aralkanamidophenyl compounds AMERICAN CYANAMID COMPANY (US) 1984-11-14 EP disclosed
US-4439606-A ANTICHOLESTEROL, ANTILIPEMIC AGENTS AMERICAN CYANAMID COMPANY (US) 1984-03-27 US disclosed
EP-0094498-A2 Antiatherosclerotic 1-piperazine derivatives AMERICAN CYANAMID COMPANY (US) 1983-11-23 EP 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 (2 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-20170334896-A1 Substituted Heterocyclic Derivative, Preparation Method And Use Thereof FAAH, NAAA, FAAH2 HDAC3 218/4885HDAC4 978/4885HDAC1 317/4885
US-10174015-B2 Substituted heterocyclic derivative, preparation method and use thereof DHPS, CYP3A5, CYP3A4 HDAC3 289/4885HDAC4 906/4885HDAC1 646/4885

“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.