SCHEMBL2705613

SCHEMBL2705613

CC#CCCCCCCO

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
LMNA P02545 2/20 0.41
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
RAB9A P51151 1/20 0.35
PTPN7 P35236 3/20 0.32
HMGCR P04035 1/20 0.32
MIF P14174 1/20 0.32
SELP P16109 1/20 0.32
GPR84 Q9NQS5 1/20 0.31
FFAR1 O14842 1/20 0.31

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
SCHEMBL18804001 1.00 ALDH1A1 (0.41) ALDH1A1LMNAHSD17B10MEN1KMT2A
SCHEMBL10551777 1.00 ALDH1A1 (0.41) ALDH1A1LMNAHSD17B10MEN1KMT2A
SCHEMBL29726945 1.00 ALDH1A1 (0.41) ALDH1A1LMNAHSD17B10MEN1KMT2A
SCHEMBL11069629 1.00 ALDH1A1 (0.41) ALDH1A1LMNAHSD17B10MEN1KMT2A
SCHEMBL4524706 1.00
SCHEMBL2481345 1.00 ALDH1A1 (0.41) ALDH1A1LMNAHSD17B10MEN1KMT2A
SCHEMBL9717348 1.00 ALDH1A1 (0.41) ALDH1A1LMNAHSD17B10MEN1KMT2A
SCHEMBL1524410 1.00 ALDH1A1 (0.41) ALDH1A1LMNAHSD17B10MEN1KMT2A
SCHEMBL1141520 0.97
SCHEMBL1524228 0.89 TSHR (0.42) ALDH1A1LMNAHSD17B10MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11407726-B2 Using stereoretention for the stereoselective formation of e-macrocycles with Ru-based olefin metathesis catalysts CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2022-08-09 US disclosed
US-20200385360-A1 USING STEREORETENTION FOR THE STEREOSELECTIVE FORMATION OF E-MACROCYCLES WITH RU-BASED OLEFIN METATHESIS CATALYSTS CALIFORNIA INSTITUTE OF TECHNOLOGY 2020-12-10 US disclosed
US-8088791-B2 Antibacterial agents Biots Scientific Management Pty Ltd (AU) 2012-01-03 US disclosed
US-20100173933-A1 ANTIBACTERIAL AGENTS PROLYSIS LTD (GB) 2010-07-08 US disclosed
US-4784796-A REACTION OF UNSATURATED ALDEHYDE WITH DIAMINE, FURTHER REACTED WITH CARBOXYLIC ACID OR QUATERNIZATION THE DOW CHEMICAL COMPANY (US) 1988-11-15 US disclosed
US-4784797-A ALDEHYDE REACTED WITH DIAMINE FOLLOWED BY SALT FORMATION OR QUATERNIZATION THE DOW CHEMICAL COMPANY (US) 1988-11-15 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 (3 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-20200385360-A1 USING STEREORETENTION FOR THE STEREOSELECTIVE FORMATION OF E-MACROCYCLES WITH RU-BASED OLEFIN METATHESIS CATALYSTS OXER1, SPR, DHCR7 ALDH1A1 1159/4885LMNA 4870/4885HSD17B10 117/4885
US-11407726-B2 Using stereoretention for the stereoselective formation of e-macrocycles with Ru-based olefin metathesis catalysts OXER1, SPR, DHCR7 ALDH1A1 1159/4885LMNA 4870/4885HSD17B10 117/4885
US-20100173933-A1 ANTIBACTERIAL AGENTS ALK, ROS1, NOX1 ALDH1A1 800/4885LMNA 1817/4885HSD17B10 1819/4885

“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.