SCHEMBL12608757

SCHEMBL12608757

O=c1c2ccc3c(c2oc2c4c(ccc12)OCC4)COC3

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.34
▸ HPGD P15428 4/20 0.34
▸ KDM4E B2RXH2 3/20 0.34
▸ MAPT P10636 2/20 0.33
▸ MTNR1A P48039 7/20 0.33
▸ MTNR1B P49286 7/20 0.33
▸ ATP1A1 P05023 1/20 0.33
▸ ATP1B1 P05026 1/20 0.33
▸ ATP1A3 P13637 1/20 0.33
▸ ATP1B2 P14415 1/20 0.33
▸ NUDT1 P36639 1/20 0.33
▸ ATP1A2 P50993 1/20 0.33
▸ ATP1B3 P54709 1/20 0.33
▸ FXYD2 P54710 1/20 0.33
▸ ATP1A4 Q13733 1/20 0.33
▸ PRKDC P78527 1/20 0.32
▸ ABCB11 O95342 1/20 0.32
▸ SIGMAR1 Q99720 1/20 0.32
▸ USP2 O75604 1/20 0.32
▸ HTR2A P28223 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
SCHEMBL12608759 0.80 ACE (0.35) ALDH1A1HPGDKDM4EMAPTPRKDC
SCHEMBL4931181 0.68 CYP1A2 (0.55) ALDH1A1HPGDKDM4EMAPTHSD17B10
SCHEMBL12608798 0.68 PTGS2 (0.48) ALDH1A1HPGDKDM4EMAPTHSD17B10
SCHEMBL12608843 0.67 CYP2B6 (0.39) —
SCHEMBL5848282 0.64 KDM4E (0.50) ALDH1A1HPGDKDM4EMAPTUSP2
SCHEMBL31573923 0.63 MAOA (0.40) ALDH1A1HPGDKDM4EMAPTHTR2A
SCHEMBL805990 0.62 HTR2A (0.39) MTNR1AMTNR1BABCB11SIGMAR1USP2
SCHEMBL29599480 0.62 HTR2A (0.39) MTNR1AMTNR1BABCB11SIGMAR1USP2
SCHEMBL338965 0.62 MTNR1A (0.44) MTNR1AMTNR1BABCB11SIGMAR1USP2
SCHEMBL13259202 0.61 KDM4E (0.41) KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8323750-B2 Method of ultraviolet light assisted surface modification and product having a surface formed by this method BEIJING WANHEXINYUAN BIOTECHNOLOGY CO., LTD. (CN) 2012-12-04 — — US disclosed
US-8323750-B2 Method of ultraviolet light assisted surface modification and product having a surface formed by this method BEIJING WANHEXINYUAN BIOTECHNOLOGY CO., LTD. (CN) 2012-12-04 — — US disclosed
US-20110124766-A1 METHOD OF ULTRAVIOLET LIGHT ASSISTED SURFACE MODIFICATION AN PRODUCT HAVING A SURFACE FORMED BY THIS METHOD BEIJING WANHEXINYUAN BIOTECHNOLOGY CO., LTD. (CN) 2011-05-26 — — US disclosed
US-20110124766-A1 METHOD OF ULTRAVIOLET LIGHT ASSISTED SURFACE MODIFICATION AN PRODUCT HAVING A SURFACE FORMED BY THIS METHOD BEIJING WANHEXINYUAN BIOTECHNOLOGY CO., LTD. (CN) 2011-05-26 — — 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-20110124766-A1 METHOD OF ULTRAVIOLET LIGHT ASSISTED SURFACE MODIFICATION AN PRODUCT HAVING A SURFACE FORMED BY THIS METHOD XPA, CYBA, PROC ALDH1A1 2586/4885HPGD 1384/4885KDM4E 1160/4885

“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.

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