SCHEMBL8029231

SCHEMBL8029231

O=C(NCC1CCCC1)OCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.61
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
LMNA P02545 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
EPHX1 P07099 2/20 0.53
F13A1 P00488 1/20 0.53
TGM2 P21980 1/20 0.53
TGM1 P22735 1/20 0.53
HTT P42858 1/20 0.52
GAA P10253 1/20 0.52
PREP P48147 2/20 0.50
TSHR P16473 1/20 0.50

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
SCHEMBL4205102 0.98 ALDH1A1 (0.64) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL8396585 0.98 ALDH1A1 (0.64) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
Bicarbonate SCHEMBL7266316 0.97 ALDH1A1 (0.62) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL8395084 0.97 ALDH1A1 (0.58) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL8393648 0.94 LMNA (0.58) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL9185615 0.89 ALDH1A1 (0.71) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL29652185 0.88 LMNA (0.52) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL14451403 0.88 LMNA (0.52) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL26246109 0.88 ALDH1A1 (0.50) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL3947244 0.87 LMNA (0.51) ALDH1A1MEN1KMT2ALMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022084446-A1 MODULATORS OF THE INTEGRATED STRESS RESPONSE PATHWAY EVOTEC INTERNATIONAL GMBH (DE) 2022-04-28 WO disclosed
EP-3118203-A1 CDK INHIBITORS G1 Therapeutics, Inc. (US) 2017-01-18 EP disclosed
EP-2632467-B1 CDK INHIBITORS G1 THERAPEUTICS INC (US) 2016-06-22 EP disclosed
EP-2955183-A1 CDK INHIBITORS G1 Therapeutics, Inc. (US) 2015-12-16 EP disclosed
US-9102682-B2 CDK inhibitors G1 THERAPEUTICS, INC. (US) 2015-08-11 US disclosed
US-20150031880-A1 CDK Inhibitors PHARMACOSMOS A/S (DK) 2015-01-29 US disclosed
US-20140275067-A1 Transient Protection of Normal Cells During Chemotherapy G1 THERAPEUTICS, INC. (US) 2014-09-18 US disclosed
WO-2014144326-A1 TRANSIENT PROTECTION OF NORMAL CELLS DURING CHEMOTHERAPY G1 THERAPEUTICS, INC. (US) 2014-09-18 WO disclosed
WO-2014144740-A2 HIGHLY ACTIVE ANTI-NEOPLASTIC AND ANTI-PROLIFERATIVE AGENTS G1 THERAPEUTICS, INC. (US) 2014-09-18 WO disclosed
WO-2014144847-A2 HSPC-SPARING TREATMENTS FOR RB-POSITIVE ABNORMAL CELLULAR PROLIFERATION G1 THERAPEUTICS, INC. (US) 2014-09-18 WO disclosed
US-6127372-A FOR TREATMENT OR PREVENTION OF VIRAL DISEASES, ESPECIALLY AIDS OR HIV VERTEX PHARMACEUTICALS, INCORPORATED (US) 2000-10-03 US disclosed
EP-0749421-B1 SULPHONAMIDE DERIVATIVES AS ASPARTYL PROTEASE INHIBITORS VERTEX PHARMA (US) 1999-09-15 EP disclosed
US-5864043-A CARDIOVASCULAR DISORDERS AND ANGIOTENSIN ANTAGONIST KARL THOMAE GMBH (DE) 1999-01-26 US disclosed
EP-0749421-A1 SULPHONAMIDE DERIVATIVES AS ASPARTYL PROTEASE INHIBITORS Vertex Pharmaceuticals Incorporated (US) 1996-12-27 EP disclosed
US-5541229-A ANGIOITENSIN II ANTAGONIST AS HYPOTENSIVE AGENTS, ANTIISCHEMIC AGENTS AND CARDIOVASCULAR DISORDERS DR. KARL THOMAE GMBH (DE) 1996-07-30 US disclosed
WO-1995024385-A1 SULPHONAMIDE DERIVATIVES AS ASPARTYL PROTEASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 1995-09-14 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 (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-20140275067-A1 Transient Protection of Normal Cells During Chemotherapy CDK6, CCNC, MCL1 ALDH1A1 1726/4885MEN1 3666/4885KMT2A 513/4885
US-20150031880-A1 CDK Inhibitors CDK3, CDK9, CDK6 ALDH1A1 2981/4885MEN1 2275/4885KMT2A 276/4885

“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.