SCHEMBL10033941

SCHEMBL10033941

CC(C)(C)/C=C/C(=O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 2/20 0.55
AKT1 P31749 2/20 0.54
MAPT P10636 5/20 0.53
LMNA P02545 4/20 0.53
BCHE P06276 3/20 0.53
PLIN1 O60240 2/20 0.53
PLIN5 Q00G26 2/20 0.53
ABHD5 Q8WTS1 2/20 0.53
MAOB P27338 2/20 0.53
TNFRSF1A P19438 1/20 0.53
ACHE P22303 1/20 0.53
CYP1B1 Q16678 1/20 0.53
ALDH1A1 P00352 5/20 0.50
CYP3A4 P08684 3/20 0.50
HPGD P15428 2/20 0.50
MAPK1 P28482 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
NFKB1 P19838 4/20 0.48
NFKB2 Q00653 4/20 0.48
RELA Q04206 4/20 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
SCHEMBL11028515 1.00 RECQL (0.55) RECQLAKT1MAPTLMNABCHE
SCHEMBL2038400 0.80 ALDH1A1 (0.41) RECQLAKT1MAPTLMNABCHE
SCHEMBL2954324 0.79 MAPT (0.70) RECQLAKT1MAPTLMNABCHE
SCHEMBL11073619 0.79 MAPT (0.70) RECQLAKT1MAPTLMNABCHE
SCHEMBL2954318 0.79 MAPT (0.70) RECQLAKT1MAPTLMNABCHE
SCHEMBL28355230 0.79 AKT1 (0.54) RECQLAKT1MAPTLMNABCHE
SCHEMBL26959426 0.79 AKT1 (0.54) RECQLAKT1MAPTLMNABCHE
SCHEMBL11238958 0.79 MAOB (0.59) RECQLAKT1MAPTLMNABCHE
SCHEMBL11008184 0.78 ALDH1A1 (0.54) RECQLAKT1MAPTLMNABCHE
SCHEMBL16306951 0.78 AKT1 (0.48) RECQLAKT1MAPTLMNABCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11773114-B2 Protective groups and methods for protecting benzoxaboroles or oxaboroles SAINT JOSEPH'S UNIVERSITY (US) 2023-10-03 US disclosed
US-11773114-B2 Protective groups and methods for protecting benzoxaboroles or oxaboroles SAINT JOSEPH'S UNIVERSITY (US) 2023-10-03 US disclosed
US-20200407375-A1 PROTECTIVE GROUPS AND METHODS FOR PROTECTING BENZOXABOROLES OR OXABOROLES UNIVERSITY OF THE SCIENCES (US) 2020-12-31 US disclosed
US-20120029197-A1 Method for Preparing Sulfur-Containing Compounds THE ROYAL COLLEGE OF SURGEONS IN IRELAND (IE) 2012-02-02 US disclosed
US-20120029197-A1 Method for Preparing Sulfur-Containing Compounds THE ROYAL COLLEGE OF SURGEONS IN IRELAND (IE) 2012-02-02 US disclosed
WO-2010066450-A1 A METHOD FOR PREPARING SULFUR-CONTAINING COMPOUNDS THE ROYAL COLLEGE OF SURGEONS IN IRELAND (IE) 2010-06-17 WO disclosed
US-20100041746-A1 NOVEL USE OF ORGANIC COMPOUNDS DSM IP ASSETS B.V. (NL) 2010-02-18 US disclosed
EP-0071165-B1 UNSATURATED ARYL KETONES AS ANTISEBORRHOEIC ADDITIVES FOR COSMETIC COMPOSITIONS Henkel Kommanditgesellschaft auf Aktien (DE) 1985-09-04 EP disclosed
US-4439418-A UNSATURATED ARYL KETONE HENKEL KGAA (DE) 1984-03-27 US disclosed
EP-0071165-A1 Unsaturated aryl ketones as antiseborrhoeic additives for cosmetic compositions Henkel Kommanditgesellschaft auf Aktien (DE) 1983-02-09 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 (4 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-20120029197-A1 Method for Preparing Sulfur-Containing Compounds SULT1E1, SULT1A1, TST RECQL 4797/4885AKT1 3046/4885MAPT 4581/4885
US-11773114-B2 Protective groups and methods for protecting benzoxaboroles or oxaboroles TXN2, ABCB7, TXN RECQL 908/4885AKT1 4754/4885MAPT 4567/4885
US-20200407375-A1 PROTECTIVE GROUPS AND METHODS FOR PROTECTING BENZOXABOROLES OR OXABOROLES ABCB7, TXN2, PRDX3 RECQL 886/4885AKT1 4708/4885MAPT 4611/4885
US-20100041746-A1 NOVEL USE OF ORGANIC COMPOUNDS FABP2, FABP4, CPT1B RECQL 4234/4885AKT1 2474/4885MAPT 2275/4885

“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.