SCHEMBL401275

SCHEMBL401275

[CH]1c2ccc3ccccc3c21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
CYP2A6 P11509 5/20 0.55
HSD17B10 Q99714 4/20 0.55
TSHR P16473 3/20 0.55
TDP1 Q9NUW8 1/20 0.55
HPRT1 P00492 1/20 0.50
HIF1A Q16665 1/20 0.46
CYP1B1 Q16678 1/20 0.46
CYP1A2 P05177 4/20 0.41
PTPN22 Q9Y2R2 1/20 0.41
PAX8 Q06710 1/20 0.41
CES1 P23141 2/20 0.41
HPGD P15428 2/20 0.40
KIF11 P52732 1/20 0.40
THRB P10828 1/20 0.40
CYP3A4 P08684 1/20 0.39
KEAP1 Q14145 1/20 0.39
POLB P06746 1/20 0.38
KDM4E B2RXH2 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL816534 0.78 DNMT1 (0.44) ALDH1A1CYP2A6HSD17B10TSHRTDP1
SCHEMBL714429 0.78 CYP2A6 (0.42) ALDH1A1CYP2A6HSD17B10TSHRTDP1
SCHEMBL6545899 0.77 ALDH1A1 (0.52) ALDH1A1CYP2A6HSD17B10TSHRTDP1
SCHEMBL3783382 0.77 CES1 (0.44) ALDH1A1CYP2A6HSD17B10TSHRTDP1
SCHEMBL145793 0.75 ALDH1A1 (0.44) ALDH1A1CYP2A6HSD17B10TSHRTDP1
SCHEMBL4464838 0.74 ALDH1A1 (0.38) ALDH1A1CYP2A6HSD17B10TSHRTDP1
SCHEMBL816043 0.74 ALDH1A1 (0.55) ALDH1A1CYP2A6HSD17B10TSHRTDP1
SCHEMBL815008 0.74 ALDH1A1 (0.55) ALDH1A1CYP2A6HSD17B10TSHRTDP1
Phenanthrene SCHEMBL30932938 0.73 CYP2A6 (1.00) ALDH1A1CYP2A6HSD17B10TSHRTDP1
Phenanthrene SCHEMBL7643 0.73 CYP2A6 (1.00) ALDH1A1CYP2A6HSD17B10TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3071591-B1 ANTIMICROBIAL PEPTIDOMIMETICS AGENCY SCIENCE TECH & RES (SG) 2021-05-05 EP claimed
US-10787483-B2 Antimicrobial peptidomimetics AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2020-09-29 US claimed
US-20180354989-A1 ANTIMICROBIAL PEPTIDOMIMETICS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2018-12-13 US claimed
US-10053490-B2 Antimicrobial peptidomimetics AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2018-08-21 US claimed
US-20160333048-A1 Antimicrobial Peptidomimetics AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2016-11-17 US claimed
EP-3071591-A2 ANTIMICROBIAL PEPTIDOMIMETICS Agency For Science, Technology And Research (SG) 2016-09-28 EP claimed
WO-2015112093-A2 ANTIMICROBIAL PEPTIDOMIMETICS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2015-07-30 WO claimed
WO-2022186098-A1 STABLE NOVEL AROMATIC BORONIC ACID ESTER 国立大学法人大阪大学 2022-09-09 WO disclosed
EP-3071591-B1 ANTIMICROBIAL PEPTIDOMIMETICS AGENCY SCIENCE TECH & RES (SG) 2021-05-05 EP disclosed
WO-2020130119-A1 WNT SIGNALING PATHWAY INHIBITOR 学校法人京都薬科大学 2020-06-25 WO disclosed
EP-3287440-B1 PYRROLIDINE COMPOUND SUMITOMO CHEMICAL CO (JP) 2019-03-27 EP disclosed
US-10053490-B2 Antimicrobial peptidomimetics AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2018-08-21 US disclosed
US-10040760-B2 Pyrrolidine compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-08-07 US disclosed
CN-1872857-A Reverse-turn mimetics and method relating thereto CHOONGWAE PHARMA CORP (KR) 2006-12-06 CN disclosed
US-20060084655-A1 Reverse-turn mimetics and method relating thereto CHOONGWAE PHARMA CORPORATION (KR) 2006-04-20 US disclosed
US-20050256096-A1 C-25 carbamate rifamycin derivatives with activity against drug-resistant microbes CUMBRE INC. (US) 2005-11-17 US disclosed
CN-1585770-A Reverse turn mimetics and methods relating thereto CHOONGWAE PHARMA CORP (KR) 2005-02-23 CN disclosed
US-5616605-A Peptide derivatives of collagenase inhibitor RESEARCH CORPORATION TECH., INC. (US) 1997-04-01 US disclosed
US-5387610-A Treating rheumatoid arthritis, corneal ulceration RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1995-02-07 US disclosed
WO-1992022523-A2 PEPTIDE DERIVATIVES OF COLLAGENASE INHIBITOR RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1992-12-23 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 (7 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-20160333048-A1 Antimicrobial Peptidomimetics MLX, MLEC, MRPL21 ALDH1A1 4340/4885CYP2A6 4086/4885HSD17B10 4771/4885
US-20060084655-A1 Reverse-turn mimetics and method relating thereto WNT1, APC, WNT3 ALDH1A1 4305/4885CYP2A6 4151/4885HSD17B10 3896/4885
US-20050256096-A1 C-25 carbamate rifamycin derivatives with activity against drug-resistant microbes CHCHD6, NAT10, RPS25 ALDH1A1 2070/4885CYP2A6 1017/4885HSD17B10 681/4885
US-10053490-B2 Antimicrobial peptidomimetics MLX, MLEC, MRPL21 ALDH1A1 4340/4885CYP2A6 4086/4885HSD17B10 4771/4885
US-10787483-B2 Antimicrobial peptidomimetics MLX, MLEC, MRPL21 ALDH1A1 4340/4885CYP2A6 4086/4885HSD17B10 4771/4885
US-20180354989-A1 ANTIMICROBIAL PEPTIDOMIMETICS MLX, MLEC, MRPL21 ALDH1A1 4340/4885CYP2A6 4086/4885HSD17B10 4771/4885
US-10040760-B2 Pyrrolidine compound CAT, POLI, PPOX ALDH1A1 783/4885CYP2A6 3123/4885HSD17B10 3321/4885

“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.