SCHEMBL808527

SCHEMBL808527

CCCc1[c]ccc2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
ATM Q13315 1/20 0.38
CYP2A6 P11509 2/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
NCEH1 Q6PIU2 1/20 0.35
HTR1B P28222 2/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
ELANE P08246 1/20 0.33
HPRT1 P00492 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
GPR84 Q9NQS5 1/20 0.33

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
SCHEMBL2252836 0.89 GAA (0.39) ALDH1A1KDM4EGAAHPGDTDP1
SCHEMBL4629536 0.87 KCNH2 (0.42) ALDH1A1KDM4EGAAHPGDATM
SCHEMBL10760575 0.86 KCNH2 (0.44) ALDH1A1KDM4EGAAHPGDTSHR
SCHEMBL2254077 0.86 KCNH2 (0.44) ALDH1A1KDM4EGAAHPGDTSHR
SCHEMBL292073 0.86 KCNH2 (0.44) ALDH1A1KDM4EGAAHPGDTSHR
SCHEMBL5750528 0.86 KCNH2 (0.44) ALDH1A1KDM4EGAAHPGDTSHR
SCHEMBL11754126 0.86 KCNH2 (0.44) ALDH1A1KDM4EGAAHPGDTSHR
SCHEMBL455640 0.84 CYP2A6 (0.39) ALDH1A1ATMCYP2A6TSHRHSD17B10
SCHEMBL8176752 0.81 ALDH1A1 (0.36) ALDH1A1KDM4EGAACYP2A6TSHR
SCHEMBL2495328 0.81 MYC (0.36) ALDH1A1KDM4EHPGDTSHRHTR1B

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 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113631536-A Fluorene derivative and use thereof 日产化学株式会社 2021-11-09 CN disclosed
WO-2020203594-A1 FLUORENE DERIVATIVE AND USE THEREOF 日産化学株式会社 2020-10-08 WO disclosed
US-10451967-B2 Acid- and radical-generating agent and method for generating acid and radical FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2019-10-22 US disclosed
CN-107085033-A N phenylnaphthalenes aminated compounds as MALDI matrix application 中国科学院化学研究所 2017-08-22 CN disclosed
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2016-11-24 US disclosed
US-8497334-B2 Conjugated diene polymer, conjugated diene polymer composition, and method for producing conjugated diene polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-07-30 US disclosed
CN-102850336-A DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZ0 [B] THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS OTSUKA PHARMA CO LTD 2013-01-02 CN disclosed
CN-102702182-A Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of cns disorders OTSUKA PHARMA CO LTD 2012-10-03 CN disclosed
CN-102558140-A Derivatives of 4-piperazin-1-1-yl-4-benzo [b] thiophene suitable for the treatment of cns disorders OTSUKA PHARMA CO LTD 2012-07-11 CN disclosed
CN-101258147-B 4-piperazin-1-yl-4-benzo [ B ] thiophene derivatives for the treatment of CNS disorders OTSUKA PHARMA CO LTD 2012-03-21 CN disclosed
US-5739347-A REDUCING AGENTS FOR DECARBONYLATION NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1998-04-14 US disclosed
US-5663348-A REDUCTION OF DIKETONE WITH AMINOALKOXYBORANE COMPLEX TO FORM DIALCOHOL ESTER COMPOUND NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1997-09-02 US disclosed
EP-0680484-A1 OPTICALLY ACTIVE $g(b)-AMINOALKOXYBORANE COMPLEX NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1995-11-08 EP disclosed
WO-1994017079-A1 OPTICALLY ACTIVE β-AMINOALKOXYBORANE COMPLEX NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1994-08-04 WO disclosed
EP-0347840-A2 Phosphinic acid derivates BANYU PHARMACEUTICAL CO., LTD. (JP) 1989-12-27 EP disclosed
US-RE30754-E GRAFTING MONOMERS WITH AMINE-REACTIVE SITES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1981-09-29 US disclosed
US-4225476-A HOT MELT ADHESIVES, IMIDATION E. I. DU PONT DE NEMOURS AND COMPANY (US) 1980-09-30 US disclosed
US-4065613-A ETHYLENEBRANCHING AGENTSATACTIC, AMORPHOUS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1977-12-27 US disclosed
US-3976720-A Polyamide/polyolefin plastic graft copolymers E. I. DU PONT DE NEMOURS AND COMPANY (US) 1976-08-24 US disclosed
US-3972961-A Process for the preparation of graft copolymers E. I. DU PONT DE NEMOURS AND COMPANY (US) 1976-08-03 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-10451967-B2 Acid- and radical-generating agent and method for generating acid and radical CBR1, HAO2, CBR3 ALDH1A1 151/4885KDM4E 4342/4885GAA 2093/4885
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL CBR1, HAO2, CBR3 ALDH1A1 151/4885KDM4E 4342/4885GAA 2093/4885

“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.