SCHEMBL318685

SCHEMBL318685

COC(=O)CCCC(Br)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
LMNA P02545 2/20 0.46
TSHR P16473 3/20 0.44
KMT2A Q03164 1/20 0.43
KCNA5 P22460 1/20 0.43
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 1/20 0.42
PPARG P37231 1/20 0.41
LTB4R Q15722 1/20 0.41
AKT1 P31749 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL29756083 0.84 CYP3A4 (0.52) ALDH1A1SMN1; SMN2
SCHEMBL13064827 0.82 CA12 (0.50) CA12CA7CA9CA14LMNA
SCHEMBL28160684 0.81 HDAC3 (0.47) TSHRALDH1A1SMN1; SMN2
SCHEMBL27764678 0.81 CA12 (0.46) CA12CA7CA9CA14LMNA
SCHEMBL11121883 0.81 PPARG (0.50) CA12CA7CA9CA14LMNA
SCHEMBL16728552 0.81 CA12 (0.46) CA12CA7CA9CA14LMNA
SCHEMBL18329328 0.81 CA12 (0.46) CA12CA7CA9CA14LMNA
SCHEMBL28556129 0.80 LMNA (0.51) CA12CA7CA9CA14LMNA
SCHEMBL9344234 0.80 KCNA5 (0.54) CA12CA7CA9CA14TSHR
SCHEMBL11375764 0.79 PPARG (0.54) CA12CA7CA9CA14LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170267628-A1 ISOMER-SELECTIVE SYNTHESIS OF METHANOFULLERENES NANO-C, INC. 2017-09-21 US disclosed
US-20170267628-A1 ISOMER-SELECTIVE SYNTHESIS OF METHANOFULLERENES NANO-C, INC. 2017-09-21 US disclosed
EP-3138841-A1 D2 ANTAGONISTS, METHODS OF SYNTHESIS AND METHODS OF USE Altos Therapeutics, LLC (US) 2017-03-08 EP disclosed
US-9527797-B1 Isomer-selective synthesis of methanofullerenes NANO-C, INC. (US) 2016-12-27 US disclosed
US-9527797-B1 Isomer-selective synthesis of methanofullerenes NANO-C, INC. (US) 2016-12-27 US disclosed
CN-103052636-B D 2antagonist and synthetic method thereof and using method Altos Therapeutics, LLC (US) 2016-03-09 CN disclosed
US-9156840-B2 D2 antagonists, methods of synthesis and methods of use Altos Therapeutics, LLC (US) 2015-10-13 US disclosed
US-20140350005-A1 D2 ANTAGONISTS, METHODS OF SYNTHESIS AND METHODS OF USE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-11-27 US disclosed
EP-2582701-A1 D2 ANTAGONISTS, METHODS OF SYNTHESIS AND METHODS OF USE Altos Therapeutics, LLC (US) 2013-04-24 EP disclosed
CN-103052636-A D2 antagonists, methods of synthesis and methods of use ALTOS THERAPEUTICS LLC 2013-04-17 CN disclosed
US-20120010228-A1 D2 ANTAGONISTS, METHODS OF SYNTHESIS AND METHODS OF USE Altos Therapeutics, LLC 2012-01-12 US disclosed
WO-2011160084-A1 D2 ANTAGONISTS, METHODS OF SYNTHESIS AND METHODS OF USE Altos Therapeutics, LLC (US) 2011-12-22 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 (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-20140350005-A1 D2 ANTAGONISTS, METHODS OF SYNTHESIS AND METHODS OF USE DRD2, DRD3, AVPR2 CA12 3253/4885CA7 3624/4885CA9 3953/4885
US-20170267628-A1 ISOMER-SELECTIVE SYNTHESIS OF METHANOFULLERENES GABRB1, GABRB3, GABRB2 CA12 2705/4885CA7 1306/4885CA9 2308/4885
US-20120010228-A1 D2 ANTAGONISTS, METHODS OF SYNTHESIS AND METHODS OF USE DRD2, DRD3, AVPR2 CA12 3253/4885CA7 3624/4885CA9 3953/4885

“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.