SCHEMBL1914540

SCHEMBL1914540

CC(C)(C)C(=O)Oc1ccccc1C(=O)O

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 6/20 0.77
KDM4E B2RXH2 10/20 0.65
HSD17B10 Q99714 7/20 0.65
ALDH1A1 P00352 6/20 0.65
HPGD P15428 5/20 0.65
ESR1 P03372 1/20 0.65
ITGB3 P05106 1/20 0.65
ITGA2B P08514 1/20 0.65
HMGB1 P09429 1/20 0.65
TSHR P16473 1/20 0.65
GGT1 P19440 1/20 0.65
PTGS1 P23219 1/20 0.65
PTGS2 P35354 1/20 0.65
BLM P54132 1/20 0.65
NAPRT Q6XQN6 1/20 0.65
TDP1 Q9NUW8 1/20 0.65
MAPT P10636 1/20 0.58
LMNA P02545 1/20 0.57
CYP1A2 P05177 1/20 0.57
CYP2C9 P11712 1/20 0.57

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
SCHEMBL10025684 0.87 KDM4E (0.62) ELANEKDM4EHSD17B10ALDH1A1HPGD
SCHEMBL10483702 0.87 ELANE (1.00) ELANEKDM4EHSD17B10ALDH1A1HPGD
SCHEMBL21795711 0.86 ELANE (0.63) ELANEKDM4EHSD17B10ALDH1A1HPGD
SCHEMBL22374226 0.86 KDM4E (0.61) ELANEKDM4EHSD17B10ALDH1A1HPGD
SCHEMBL14707445 0.86 KDM4E (0.61) ELANEKDM4EHSD17B10ALDH1A1HPGD
SCHEMBL10483734 0.84 ELANE (1.00) ELANEKDM4EHSD17B10ALDH1A1HPGD
SCHEMBL29607284 0.84 ELANE (0.74) ELANEALDH1A1MAPTLMNA
SCHEMBL1914152 0.84 ELANE (0.74) ELANEKDM4EHSD17B10ALDH1A1HPGD
SCHEMBL29599041 0.84 ELANE (0.74) ELANEKDM4EHSD17B10ALDH1A1HPGD
SCHEMBL21795728 0.83 ELANE (0.68) ELANEKDM4EHSD17B10ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104829757-B A kind of ingredient of solid catalyst of olefin polymerization acid esters compound containing bigcatkin willow and its preparation method and application 中国科学院化学研究所 2018-04-27 CN claimed
WO-2021034111-A1 NOVEL SESQUITERPENE DERIVATIVE AND USE THEREOF 엠에프씨 주식회사 2021-02-25 WO disclosed
CN-104829757-B A kind of ingredient of solid catalyst of olefin polymerization acid esters compound containing bigcatkin willow and its preparation method and application 中国科学院化学研究所 2018-04-27 CN disclosed
US-9309233-B2 Compositions and methods for the treatment of blood clotting disorders CELLIX BIO PRIVATE LIMITED (IN) 2016-04-12 US disclosed
US-9102607-B2 Peroxide derivatives, their process of preparation and their use in human medicine and in cosmetics for the treatment or prevention of acne GALDERMA RESEARCH & DEVELOPMENT (FR) 2015-08-11 US disclosed
US-20150119436-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF BLOOD CLOTTING DISORDERS CELLIX BIO PRIVATE LIMITED (IN) 2015-04-30 US disclosed
WO-2015021226-A1 ANALOGS OF VINAXANTHONE AND XANTHOFULVIN, METHODS OF SYNTHESIS, AND METHODS OF TREATMENTS THEREOF BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2015-02-12 WO disclosed
EP-2509944-B1 NOVEL PEROXIDE DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR USE IN HUMAN MEDICINE AND IN COSMETICS FOR THE TREATMENT OR PREVENTION OF ACNE GALDERMA RES & DEV (FR) 2014-06-18 EP disclosed
US-20120323035-A1 NOVEL PEROXIDE DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR USE IN HUMAN MEDICINE AND IN COSMETICS FOR THE TREATMENT OR PREVENTION OF ACNE GALDERMA RESEARCH & DEVELOPMENT (FR) 2012-12-20 US disclosed
EP-2509944-A1 NOVEL PEROXIDE DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR USE IN HUMAN MEDICINE AND IN COSMETICS FOR THE TREATMENT OR PREVENTION OF ACNE Galderma Research & Development (FR) 2012-10-17 EP disclosed
WO-2011070170-A1 NOVEL PEROXIDE DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR USE IN HUMAN MEDICINE AND IN COSMETICS FOR THE TREATMENT OR PREVENTION OF ACNE GALDERMA RESEARCH & DEVELOPMENT (FR) 2011-06-16 WO disclosed
EP-1615651-A1 A PROCESS FOR THE PREPARATION OF FERUTININE FROM FERULA GENUS PLANTS INDENA S.p.A. (IT) 2006-01-18 EP disclosed
WO-2004087179-A1 A PROCESS FOR THE PREPARATION OF FERUTININE FROM FERULA GENUS PLANTS INDENA S.P.A. (IT) 2004-10-14 WO disclosed
US-4006239-A Benzoic acid amides for mycobacterium infections BAYER AKTIENGESELLSCHAFT (DT) 1977-02-01 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 (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-20150119436-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF BLOOD CLOTTING DISORDERS F2, F12, F5 ELANE 1633/4885KDM4E 4600/4885HSD17B10 524/4885
US-20120323035-A1 NOVEL PEROXIDE DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR USE IN HUMAN MEDICINE AND IN COSMETICS FOR THE TREATMENT OR PREVENTION OF ACNE GPX4, LPO, GPX1 ELANE 708/4885KDM4E 4061/4885HSD17B10 65/4885

“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.