SCHEMBL10072381

SCHEMBL10072381

CCCCCCCC1(CC[C@@H]2C(C/C=C\CCCC(=O)OCC)C(O)C[C@H]2O)OCCO1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4D Q08499 2/20 0.53
▸ PGR P06401 1/20 0.53
▸ ADORA3 P0DMS8 1/20 0.53
▸ ADRA2C P18825 1/20 0.53
▸ SLC6A2 P23975 1/20 0.53
▸ HTR2B P41595 1/20 0.53
▸ MC3R P41968 1/20 0.53
▸ SLC6A3 Q01959 1/20 0.53
▸ SCN5A Q14524 1/20 0.53
▸ ALDH1A1 P00352 3/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ HKDC1 Q2TB90 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ SAE1 Q9UBE0 1/20 0.46
▸ UBA2 Q9UBT2 1/20 0.46
▸ PTGFR P43088 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ TBXA2R P21731 1/20 0.41
▸ PTGER1 P34995 1/20 0.41
▸ PTGER4 P35408 1/20 0.41

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
SCHEMBL1696535 1.00 PDE4D (0.53) PDE4DPGRADORA3ADRA2CSLC6A2
SCHEMBL15672955 1.00 PDE4D (0.53) PDE4DPGRADORA3ADRA2CSLC6A2
SCHEMBL15960983 0.91 ALDH1A1 (0.55) PDE4DPGRADORA3ADRA2CSLC6A2
SCHEMBL2738717 0.90 ALDH1A1 (0.56) PDE4DPGRADORA3ADRA2CSLC6A2
SCHEMBL15779594 0.90 ALDH1A1 (0.56) PDE4DPGRADORA3ADRA2CSLC6A2
SCHEMBL2738709 0.90 ALDH1A1 (0.56) PDE4DPGRADORA3ADRA2CSLC6A2
SCHEMBL14098071 0.90 ALDH1A1 (0.56) PDE4DPGRADORA3ADRA2CSLC6A2
SCHEMBL3439766 0.90 ALDH1A1 (0.56) PDE4DPGRADORA3ADRA2CSLC6A2
SCHEMBL12455915 0.90 ALDH1A1 (0.56) PDE4DPGRADORA3ADRA2CSLC6A2
SCHEMBL16509907 0.90 ALDH1A1 (0.56) PDE4DPGRADORA3ADRA2CSLC6A2

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-20120088823-A1 COMPOSITION AND METHOD FOR SCALP AND HAIR TREATMENT R-TECH UENO, LTD. (JP) 2012-04-12 — — US disclosed
US-20090298928-A1 COMPOSITION AND METHOD FOR SCALP AND HAIR TREATMENT R-TECH UENO, LTD. 2009-12-03 — — US disclosed
US-20080033036-A1 Composition and Method for Promoting Hair Growth R-TECH UENO, LTD. (JP) 2008-02-07 — — US disclosed
US-20070298134-A1 Composition and Method for Scalp and Hair Treatment R-TECH UENO, LTD. (JP) 2007-12-27 — — 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 (4 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-20070298134-A1 Composition and Method for Scalp and Hair Treatment PTGER3, PTGDR2, HSD3B2 PDE4D 977/4885PGR 333/4885ADORA3 2841/4885
US-20120088823-A1 COMPOSITION AND METHOD FOR SCALP AND HAIR TREATMENT PTGER3, PTGDR2, HSD3B2 PDE4D 977/4885PGR 333/4885ADORA3 2841/4885
US-20090298928-A1 COMPOSITION AND METHOD FOR SCALP AND HAIR TREATMENT PTGER3, PTGDR2, HSD3B2 PDE4D 977/4885PGR 333/4885ADORA3 2841/4885
US-20080033036-A1 Composition and Method for Promoting Hair Growth COX15, PGF, PTGS2 PDE4D 1937/4885PGR 324/4885ADORA3 3530/4885

“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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