SCHEMBL867672

SCHEMBL867672

O=CC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
TSHR P16473 4/20 0.41
KCNN4 O15554 3/20 0.41
CYP2A6 P11509 1/20 0.41
CYP2C19 P33261 1/20 0.39
HIF1A Q16665 1/20 0.39
CYP1A2 P05177 1/20 0.39
ESR1 P03372 2/20 0.37
ESR2 Q92731 2/20 0.37
PTPN1 P18031 1/20 0.37
CYP3A4 P08684 1/20 0.37
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
THRB P10828 1/20 0.36
BLM P54132 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MAPK1 P28482 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36

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
SCHEMBL28880786 0.97 ALDH1A1 (0.39) ALDH1A1TSHRKCNN4CYP2A6CYP2C19
SCHEMBL10538145 0.88 ALDH1A1 (0.43) ALDH1A1KCNN4CYP2A6KMT2AMEN1
SCHEMBL31620694 0.86 KIF11 (0.42) ALDH1A1TSHRCYP2C19HIF1ACYP1A2
SCHEMBL11723215 0.82 TSHR (0.50) ALDH1A1TSHRCYP2A6CYP3A4KMT2A
SCHEMBL11755159 0.81 KIF11 (0.44) TSHRCYP2C19CYP3A4KMT2AMEN1
SCHEMBL548046 0.79 ALDH1A1 (0.43) ALDH1A1TSHRKCNN4CYP2A6CYP1A2
SCHEMBL3522115 0.78 KCNN4 (0.52) ALDH1A1TSHRKCNN4CYP2A6CYP2C19
SCHEMBL1933521 0.77 ALDH1A1 (0.41) ALDH1A1TSHRKCNN4CYP2A6CYP1A2
SCHEMBL27596588 0.77 ALDH1A1 (0.41) ALDH1A1TSHRKCNN4CYP2A6CYP1A2
SCHEMBL1414647 0.74 ESR1 (0.41) ALDH1A1TSHRKCNN4CYP2A6CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103524359-B A kind of with three big steric hindrance substituting group C2Symmetrical optically-active aminodiol and preparation method and purposes 湘潭大学 2016-06-08 CN claimed
US-9029501-B2 Method for making macrocycles RIGEL PHARMACEUTICALS, INC. (US) 2015-05-12 US claimed
US-20130217874-A1 METHOD FOR MAKING MACROCYCLES RIGEL PHARMACEUTICALS, INC. (US) 2013-08-22 US claimed
WO-2012061408-A2 METHOD FOR MAKING MACROCYCLES RIGEL PHARMACEUTICALS. INC. (US) 2012-05-10 WO claimed
US-5061795-A ANTITUMOR AGENTS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1991-10-29 US claimed
US-4534898-A 1-Oxa-1-dethia-cephalosporin derivatives MERCK & CO., INC. (US) 1985-08-13 US claimed
CN-113508126-B Novel peptides and uses thereof 因首生物科学有限公司 2023-09-29 CN disclosed
WO-2023090686-A1 PENTAPEPTIDE AND USE THEREOF ENSOL BIOSCIENCES INC. (KR) 2023-05-25 WO disclosed
CN-109476702-B Peptides and uses thereof 因首生物科学有限公司 2022-04-29 CN disclosed
CN-113508126-A Novel peptides and uses thereof 因首生物科学有限公司 2021-10-15 CN disclosed
CN-107787325-B Novel peptides and uses thereof 因首生物科学有限公司 2021-09-10 CN disclosed
WO-2019013814-A1 3-D PRINTING HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) 2019-01-17 WO disclosed
CN-108697713-A Methods for making tricyclic PI3K inhibitor compounds and methods of treating cancer therewith 基因泰克公司 2018-10-23 CN disclosed
US-4065623-A O-2-Isocephem-4-carboxylic acid derivatives as antibacterial agents BRISTOL-MYERS COMPANY (US) 1977-12-27 US disclosed
US-4044060-A PHOSGENE, THIONYL, PHOSPHORUS, ALDEHYDE, KETONE BAYER AKTIENGESELLSCHAFT (DT) 1977-08-23 US disclosed
US-4039413-A OXYGEN-FREE, UV OR VISIBLE LIGHT, ORGANIC PEROXIDE, ACRYLIC POLYMERSON ROHM GMBH (DT) 1977-08-02 US disclosed
US-4014872-A ANTIBIOTICS GLAXO LABORATORIES LIMITED (EN) 1977-03-29 US disclosed
US-4013648-A BETA-LACTAM ANTIBIOTICS BRISTOL-MYERS COMPANY (US) 1977-03-22 US disclosed
US-4012383-A BACTERICIDES BRISTOL-MYERS COMPANY (US) 1977-03-15 US disclosed
US-4011216-A Δ2,3-0-2-Isocephem-4-carboxylic acid and derivatives thereof as antibacterial agents BRISTOL-MYERS COMPANY (US) 1977-03-08 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 (1 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-20130217874-A1 METHOD FOR MAKING MACROCYCLES EZR, SQLE, CBR3 ALDH1A1 1812/4885TSHR 3677/4885KCNN4 3004/4885

“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.